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Ethyl 4-Cyanomethylazulene-1-carboxylate

View entire compound with spectra: 2 MS (GC)

Ethyl 4-Cyanomethylazulene-1-carboxylate
SpectraBase Compound ID 72CTwsX4Cm9
InChI InChI=1S/C15H13NO2/c1-2-18-15(17)14-8-7-12-11(9-10-16)5-3-4-6-13(12)14/h3-8H,2,9H2,1H3
InChIKey PGPWWSHTGCHRTH-UHFFFAOYSA-N
Mol Weight 239.27 g/mol
Molecular Formula C15H13NO2
Exact Mass 239.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfRl8WMyQ5R
Name Ethyl 4-Cyanomethylazulene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13NO2
InChI InChI=1S/C15H13NO2/c1-2-18-15(17)14-8-7-12-11(9-10-16)5-3-4-6-13(12)14/h3-8H,2,9H2,1H3
InChIKey PGPWWSHTGCHRTH-UHFFFAOYSA-N
Molecular Weight 239.274 g/mol
SMILES c12c(ccc2C(=O)OCC)c(cccc1)CC#N
SPLASH splash10-014r-0940000000-d9d25984b51e3f36cf96
Source of Spectrum QA-44-267-10
Synonyms Ethyl 4-(cyanomethyl)-1-azulenecarboxylate
Wiley ID 862348