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Butanoic acid, 2-cyano-, methyl ester
SpectraBase Compound ID LSBIsXdiYXL
InChI InChI=1S/C6H9NO2/c1-3-5(4-7)6(8)9-2/h5H,3H2,1-2H3
InChIKey DZTZUXKILWFDMG-UHFFFAOYSA-N
Mol Weight 127.14 g/mol
Molecular Formula C6H9NO2
Exact Mass 127.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21EPTsTHmKl
Name Butanoic acid, 2-cyano-, methyl ester
CAS Registry Number 53692-87-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9NO2
InChI InChI=1S/C6H9NO2/c1-3-5(4-7)6(8)9-2/h5H,3H2,1-2H3
InChIKey DZTZUXKILWFDMG-UHFFFAOYSA-N
Molecular Weight 127.143 g/mol
SMILES C(C(CC)C#N)(OC)=O
SPLASH splash10-014i-9000000000-e238d436631b29e2575b
Source of Spectrum EP-2755-0-0
Synonyms 2-cyanobutanoic acid methyl ester 2-cyanobutyric acid methyl ester Methyl 2-cyanobutanoate Methyl 2-cyanobutyrate
Wiley ID 1130599