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1-cyclohepta-2,4,6-trienecarboxylic acid ethyl ester
SpectraBase Compound ID 3YhSKX3l6NO
InChI InChI=1S/C10H12O2/c1-2-12-10(11)9-7-5-3-4-6-8-9/h3-9H,2H2,1H3
InChIKey IXNFXAHCEDDXAK-UHFFFAOYSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kt6pHwnkpy
Name 1-cyclohepta-2,4,6-trienecarboxylic acid ethyl ester
CAS Registry Number 27332-37-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-2-12-10(11)9-7-5-3-4-6-8-9/h3-9H,2H2,1H3
InChIKey IXNFXAHCEDDXAK-UHFFFAOYSA-N
Molecular Weight 164.204 g/mol
SMILES C(C1C=CC=CC=C1)(=O)OCC
SPLASH splash10-0006-9000000000-4c34a881f39c67b3c452
Source of Spectrum F-35-2320-0
Synonyms 2,4,6-Cycloheptatriene-1-carboxylic acid, ethyl ester Ethyl cyclohepta-2,4,6-triene-1-carboxylate cyclohepta-2,4,6-triene-1-carboxylic acid ethyl ester
Wiley ID 1160339