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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)

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SpectraBase Spectrum ID 3HYZiWxBzvJ
Name 1,3-Cyclohexadiene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester
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 splash10-0adi-4900000000-893c52dcd281d17f3e92
Synonyms 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
Wiley ID 1478548