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

*Links on SpectraBase are not permalinks.
1,3-Cyclohexadiene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester
SpectraBase Compound ID 5WHybr9cFDp
InChI InChI=1S/C12H18O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h6-7H,5,8H2,1-4H3
InChIKey KYEZYLFPHRVFBF-UHFFFAOYSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 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 5htdAisTxlf
Name 1,3-Cyclohexadiene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester
Alternate Name(s) Ethyl 2,6,6-trimethyl-1,3-cyclohexadiene-1-carboxylate 2,6,6-trimethyl-1-cyclohexa-1,3-dienecarboxylic acid ethyl ester 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylic acid ethyl ester Ethyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate Ethyl 2,6,6-trimethylcyclohexa-1,3-ene-1-carboxylate Ethyl safranate EINECS 252-335-9
CAS Registry Number 35044-59-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h6-7H,5,8H2,1-4H3
InChIKey KYEZYLFPHRVFBF-UHFFFAOYSA-N
Molecular Weight 194.274 g/mol
SMILES C1C=CC(=C(C1(C)C)C(=O)OCC)C
SPLASH splash10-0abc-2900000000-933061cbd7edc284729b
Source of Spectrum PR-1139-0-0
Wiley ID 1191193