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5-Methyl-3-(4-Cyanobutyl)benzoquinone
SpectraBase Compound ID 18zUpzQzl9Y
InChI InChI=1S/C12H13NO2/c1-9-7-11(14)8-10(12(9)15)5-3-2-4-6-13/h7-8H,2-5H2,1H3
InChIKey OPYIVPIOUPDXIZ-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19lhGsVPN4d
Name 5-Methyl-3-(4-Cyanobutyl)benzoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-9-7-11(14)8-10(12(9)15)5-3-2-4-6-13/h7-8H,2-5H2,1H3
InChIKey OPYIVPIOUPDXIZ-UHFFFAOYSA-N
Molecular Weight 203.241 g/mol
SMILES C=1(C(C(CCCCC#N)=CC(C1)=O)=O)C
SPLASH splash10-0udr-0930000000-8e5fcff812c6df6dcdbe
Source of Spectrum F-49-5545-10
Synonyms 5-(5-Methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)pentanenitrile
Wiley ID 1200922