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

*Links on SpectraBase are not permalinks.
[(1S)-2-(o-tolyl)cyclohex-2-en-1-yl] butanoate
SpectraBase Compound ID 58S2yIk8yIf
InChI InChI=1S/C17H22O2/c1-3-8-17(18)19-16-12-7-6-11-15(16)14-10-5-4-9-13(14)2/h4-5,9-11,16H,3,6-8,12H2,1-2H3/t16-/m0/s1
InChIKey HPJWBQZKFYSHNK-INIZCTEOSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 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 H7nmG4wmIRW
Name [(1S)-2-(o-tolyl)cyclohex-2-en-1-yl] butanoate
Appearance Viscous oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-3-8-17(18)19-16-12-7-6-11-15(16)14-10-5-4-9-13(14)2/h4-5,9-11,16H,3,6-8,12H2,1-2H3/t16-/m0/s1
InChIKey HPJWBQZKFYSHNK-INIZCTEOSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01375
Molecular Weight 258.361 g/mol
SMILES c1ccc(c(c1)C)C1=CCCC[C@@]1(OC(CCC)=O)[H]
SPLASH splash10-00dl-0900000000-478522a176c768f68ef1
Source of Spectrum A1-23-SM10-5la
Wiley ID 1867991