2-(3-benzoylphenyl)propanenitrile

2-(3-Benzoylphenyl)propionitrile
2-(m-Benzoylphenyl)propionitrile
3-Benzoyl-α-methylbenzeneacetonitrile
Benzeneacetonitrile, 3-benzoyl-α-methyl-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	RGYOCHMZSLUCNP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3
IUPAC name chemrof:IUPAC_name	2-(3-benzoylphenyl)propanenitrile
Molecular formula chemrof:molecular_formula	C16H13NO
Molecular mass chemrof:molecular_mass	235.286
Monoisotopic mass chemrof:monoisotopic_mass	235.099714
SMILES string chemrof:smiles_string	CC(C#N)c1cccc(C(=O)c2ccccc2)c1

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=42872-30-0	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.050.875	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID20962752	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/T1XT2245YV	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J236.503K	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/39325	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27289555	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
fb12b7bc-e08f-40f8-996a-61ea759b993e	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
775d4538-5d9c-4948-aea1-3bed08a004f9	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
64f923a9-2ce6-4ea9-9312-4da27b2a6549	Environmental → Air → Indoor	EF 3.1	kg	2
0e71405b-ff48-4613-a437-6f8e32b3d25b	Environmental → Air → Long-term	EF 3.1	kg	0
e9ffa24b-f0df-4999-b8ac-ffb540a3a911	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
3c199a67-3e74-4eb1-90a0-62e460b636f8	Environmental → Air → Unknown	EF 3.1	kg	2
5371d6a9-4d52-4e32-8e93-1774cb4c24d6	Environmental → Ground → Agricultural	EF 3.1	kg	2
3780ef8b-d764-4553-b263-76345efb7175	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
91c594c1-c934-4633-be4e-a2abdb1122a3	Environmental → Ground → Unknown	EF 3.1	kg	2
2b83aca4-88b0-4324-bee6-e4b7e5d36213	Environmental → Water → Long-term	EF 3.1	kg	0
4cf77ec5-b906-4a96-9ada-9685f1b980bf	Environmental → Water → Ocean	EF 3.1	kg	2
24009d5f-d6bd-4330-8200-015644e6792f	Environmental → Water → Surface water	EF 3.1	kg	2
f4b15632-8e28-4790-90b6-e17b9abfc7ac	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

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Flow object JSON

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2-(3-benzoylphenyl)propanenitrile

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