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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H13NO
Molecular Weight 235.2805
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-BENZOYLPHENYL)PROPIONITRILE, (S)-

SMILES

C[C@H](C#N)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2

InChI

InChIKey=RGYOCHMZSLUCNP-GFCCVEGCSA-N
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/t12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H13NO
Molecular Weight 235.2805
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:29:45 GMT 2025
Edited
by admin
on Mon Mar 31 23:29:45 GMT 2025
Record UNII
T396H2LPUY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENEACETONITRILE, 3-BENZOYL-.ALPHA.-METHYL-, (.ALPHA.S)-
Preferred Name English
2-(3-BENZOYLPHENYL)PROPIONITRILE, (S)-
Systematic Name English
(S)-2-(3-BENZOYLPHENYL)PROPANENITRILE
Systematic Name English
(-)-2-(3-BENZOYLPHENYL)PROPANENITRILE
Systematic Name English
Code System Code Type Description
PUBCHEM
7023127
Created by admin on Mon Mar 31 23:29:45 GMT 2025 , Edited by admin on Mon Mar 31 23:29:45 GMT 2025
PRIMARY
CAS
1421692-22-9
Created by admin on Mon Mar 31 23:29:45 GMT 2025 , Edited by admin on Mon Mar 31 23:29:45 GMT 2025
PRIMARY
FDA UNII
T396H2LPUY
Created by admin on Mon Mar 31 23:29:45 GMT 2025 , Edited by admin on Mon Mar 31 23:29:45 GMT 2025
PRIMARY