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1-Methyl-1-cyclohexa-2,5-dienecarboxylic acid hexyl ester

View entire compound with spectra: 1 MS (GC)

1-Methyl-1-cyclohexa-2,5-dienecarboxylic acid hexyl ester
SpectraBase Compound ID 8bvsVNGnvYz
InChI InChI=1S/C14H22O2/c1-3-4-5-9-12-16-13(15)14(2)10-7-6-8-11-14/h7-8,10-11H,3-6,9,12H2,1-2H3
InChIKey QZMKXYCSEXRTTA-UHFFFAOYSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jd0m4GAglK5
Name 1-Methyl-1-cyclohexa-2,5-dienecarboxylic acid hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-3-4-5-9-12-16-13(15)14(2)10-7-6-8-11-14/h7-8,10-11H,3-6,9,12H2,1-2H3
InChIKey QZMKXYCSEXRTTA-UHFFFAOYSA-N
Molecular Weight 222.328 g/mol
SMILES C1(C(=O)OCCCCCC)(C=CCC=C1)C
SPLASH splash10-00kf-9500000000-3536de9abc323b3d4edd
Source of Spectrum KC-0-761-6
Synonyms 1-Methylcyclohexa-2,5-diene-1-carboxylic acid hexyl ester Hexyl 1-methylcyclohexa-2,5-diene-1-carboxylate
Wiley ID 822196