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Valeric acid, 2-cyano-4-methyl-, ethyl ester
SpectraBase Compound ID C9KhwglxD2W
InChI InChI=1S/C9H15NO2/c1-4-12-9(11)8(6-10)5-7(2)3/h7-8H,4-5H2,1-3H3
InChIKey XOHIDSSTBKHCPY-UHFFFAOYSA-N
Mol Weight 169.22 g/mol
Molecular Formula C9H15NO2
Exact Mass 169.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jTRPE2tyFr
Name Valeric acid, 2-cyano-4-methyl-, ethyl ester
CAS Registry Number 7352-02-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15NO2
InChI InChI=1S/C9H15NO2/c1-4-12-9(11)8(6-10)5-7(2)3/h7-8H,4-5H2,1-3H3
InChIKey XOHIDSSTBKHCPY-UHFFFAOYSA-N
Molecular Weight 169.224 g/mol
SMILES CC(CC(C(=O)OCC)C#N)C
SPLASH splash10-0zfu-9300000000-29e839008efeb2cf1024
Source of Spectrum T-66-589-0
Synonyms Ethyl 2-cyano-4-methylpentanoate 2-cyano-4-methyl-valeric acid ethyl ester 2-cyano-4-methylpentanoic acid ethyl ester
Wiley ID 1165745