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Methyl 1-cyano-3(or 4)-methyl-3-cyclohexene-1-carboxylate
SpectraBase Compound ID BxP1QeeB7Vh
InChI InChI=1S/C10H13NO2/c1-8-4-3-5-10(6-8,7-11)9(12)13-2/h4H,3,5-6H2,1-2H3
InChIKey YGNWQQZJOJYXMZ-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJ0yqT9lMtJ
Name Methyl 1-cyano-3(or 4)-methyl-3-cyclohexene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c1-8-4-3-5-10(6-8,7-11)9(12)13-2/h4H,3,5-6H2,1-2H3
InChIKey YGNWQQZJOJYXMZ-UHFFFAOYSA-N
Molecular Weight 179.219 g/mol
SMILES C1(C(=O)OC)(C#N)CC(=CCC1)C
SPLASH splash10-014i-9600000000-6a9669a52f237c9c52c4
Source of Spectrum JX-2015-6-4198
Synonyms Methyl 1-cyano-3-methylcyclohex-3-enecarboxylate
Wiley ID 1728775