Search MNXref
 Feedback

Benzenehexanenitrile, beta,beta-dimethyl-epsilon-oxo-

PropertiesImage
MNX_IDMNXM1128637 Image of MNXM1128637
referencechebi:167325
formulaC14H17NO
global charge0
mol weight215.296
InChIKeyPMCFJNWHBHDYJP-UHFFFAOYSA-N
InChIInChI=1S/C14H17NO/c1-14(2,10-11-15)9-8-13(16)12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3
SMILESCC(C)(CC#N)CCC(=O)C1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C14H17NO/c1-14(2,10-11-15)9-8-13(16)12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3 Image of MNXM1128637
SMILES (mnx)[CH3:1][C:14]([CH3:2])([CH2:9][CH2:8][C:13]([C:12]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)=[O:16])[CH2:10][C:11]#[N:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:167325
chebi:167325
PMCFJNWHBHDYJP-UHFFFAOYSA-N
Benzenehexanenitrile, beta,beta-dimethyl-epsilon-oxo-
3,3-dimethyl-6-oxo-6-phenylhexanenitrile