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

*Links on SpectraBase are not permalinks.
2-Methyl-2-[(4S)-4-propan-2-yl-1-cyclohexenyl]propanenitrile
SpectraBase Compound ID FMarZ7cm1ui
InChI InChI=1S/C13H21N/c1-10(2)11-5-7-12(8-6-11)13(3,4)9-14/h7,10-11H,5-6,8H2,1-4H3/t11-/m1/s1
InChIKey WRFMQSHYSRSJKC-LLVKDONJSA-N
Mol Weight 191.32 g/mol
Molecular Formula C13H21N
Exact Mass 191.1674 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 2GUNiO6Ogn2
Name 2-Methyl-2-[(4S)-4-propan-2-yl-1-cyclohexenyl]propanenitrile
CAS Registry Number 85198-23-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21N
InChI InChI=1S/C13H21N/c1-10(2)11-5-7-12(8-6-11)13(3,4)9-14/h7,10-11H,5-6,8H2,1-4H3/t11-/m1/s1
InChIKey WRFMQSHYSRSJKC-LLVKDONJSA-N
Molecular Weight 191.318 g/mol
SMILES C1(=CC[C@](CC1)(C(C)C)[H])C(C#N)(C)C
SPLASH splash10-00vl-9400000000-9f29b09eaff192d6afe5
Source of Spectrum H-65-2708-0
Synonyms 2-Methyl-2-[(4S)-4-propan-2-ylcyclohexen-1-yl]propanenitrile 2-[(4S)-4-isopropylcyclohexen-1-yl]-2-methyl-propanenitrile 2-[(4S)-4-isopropylcyclohexen-1-yl]-2-methyl-propionitrile
Wiley ID 1187743