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

*Links on SpectraBase are not permalinks.
(1S,3S,4R,6S)-6-Isopropenyl-3,4-dimethyl-2-oxo-1-(3-oxobutyl)cyclohexanecarbonitrile
SpectraBase Compound ID 4Sw5KefTN0W
InChI InChI=1S/C16H23NO2/c1-10(2)14-8-11(3)13(5)15(19)16(14,9-17)7-6-12(4)18/h11,13-14H,1,6-8H2,2-5H3/t11-,13?,14+,16-/m1/s1
InChIKey DVGYZZONTNJODA-AGPYAKHLSA-N
Mol Weight 261.36 g/mol
Molecular Formula C16H23NO2
Exact Mass 261.172879 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 AjxqnzjD63D
Name (1S,3S,4R,6S)-6-Isopropenyl-3,4-dimethyl-2-oxo-1-(3-oxobutyl)cyclohexanecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO2
InChI InChI=1S/C16H23NO2/c1-10(2)14-8-11(3)13(5)15(19)16(14,9-17)7-6-12(4)18/h11,13-14H,1,6-8H2,2-5H3/t11-,13?,14+,16-/m1/s1
InChIKey DVGYZZONTNJODA-AGPYAKHLSA-N
Molecular Weight 261.365 g/mol
SMILES [C@]1(C(C(C)[C@@](C[C@]1(C(=C)C)[H])(C)[H])=O)(C#N)CCC(=O)C
SPLASH splash10-0fkd-2960000000-0cdbc332e69d8dbdbc67
Source of Spectrum F-56-2088-25
Wiley ID 856363