For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1S,2R)-2-methyl-3-oxocyclohexanecarbonitrile
SpectraBase Compound ID BDEesxdFHMN
InChI InChI=1S/C8H11NO/c1-6-7(5-9)3-2-4-8(6)10/h6-7H,2-4H2,1H3/t6-,7-/m1/s1
InChIKey QGEQXPHYEPMKKG-RNFRBKRXSA-N
Mol Weight 137.18 g/mol
Molecular Formula C8H11NO
Exact Mass 137.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3JTto7YvRU7
Name (1S,2R)-2-methyl-3-oxocyclohexanecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11NO
InChI InChI=1S/C8H11NO/c1-6-7(5-9)3-2-4-8(6)10/h6-7H,2-4H2,1H3/t6-,7-/m1/s1
InChIKey QGEQXPHYEPMKKG-RNFRBKRXSA-N
Molecular Weight 137.182 g/mol
SMILES C(#N)[C@@]1([C@](C(=O)CCC1)(C)[H])[H]
SPLASH splash10-0a4i-9300000000-ccf019a3e595a8be40c2
Source of Spectrum KC-0-1160-32
Synonyms trans-2-Methyl-3-oxocyclihexanecarbonitrile
Wiley ID 783745