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

*Links on SpectraBase are not permalinks.

3-Cyclohexene-1-carboxylic acid, 3-(2,2-dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, [1S-[1.alpha.,2.alpha.(S*),3.alpha.,4.alpha.]]-

View entire compound with spectra: 1 MS (GC)

3-Cyclohexene-1-carboxylic acid, 3-(2,2-dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, [1S-[1.alpha.,2.alpha.(S*),3.alpha.,4.alpha.]]-
SpectraBase Compound ID FWmJ657hk10
InChI InChI=1S/C22H36O3/c1-20(2,3)14-24-18-17(16-12-13-22(18,6)21(16,4)5)25-19(23)15-10-8-7-9-11-15/h7-8,15-18H,9-14H2,1-6H3/t15?,16-,17-,18-,22+/m1/s1
InChIKey DGSYZBRCKVOTLN-ZLEGMDOLSA-N
Mol Weight 348.5 g/mol
Molecular Formula C22H36O3
Exact Mass 348.266445 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 Biqcq77T3AA
Name 3-Cyclohexene-1-carboxylic acid, 3-(2,2-dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, [1S-[1.alpha.,2.alpha.(S*),3.alpha.,4.alpha.]]-
Alternate Name(s) (1S,2R,3S)-3-(2,2-Dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl (1R)-cyclohex-3-ene-1-carboxylate (1S,2R,3S)-4,7,7-trimethyl-3-(neopentyloxy)bicyclo[2.2.1]hept-2-yl 3-cyclohexene-1-carboxylate
CAS Registry Number 106618-24-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-20(2,3)14-24-18-17(16-12-13-22(18,6)21(16,4)5)25-19(23)15-10-8-7-9-11-15/h7-8,15-18H,9-14H2,1-6H3/t15?,16-,17-,18-,22+/m1/s1
InChIKey DGSYZBRCKVOTLN-ZLEGMDOLSA-N
Molecular Weight 348.527 g/mol
SMILES [C@]12(C([C@]([H])(CC2)[C@]([C@]1(OCC(C)(C)C)[H])(OC(=O)C1CC=CCC1)[H])(C)C)C
SPLASH splash10-00e9-5930000000-bab65ec4c42cd1b1a581
Source of Spectrum H-68-2111-29
Wiley ID 1341003