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cyanoacetic acid, butyl ester
SpectraBase Compound ID JkItk1B4z0A
InChI InChI=1S/C7H11NO2/c1-2-3-6-10-7(9)4-5-8/h2-4,6H2,1H3
InChIKey DJACTCNGCHPGOI-UHFFFAOYSA-N
Mol Weight 141.17 g/mol
Molecular Formula C7H11NO2
Exact Mass 141.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4REXI3Pe6U
Name n-Butyl cyanoacetate
CAS Registry Number 5459-58-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NO2
InChI InChI=1S/C7H11NO2/c1-2-3-6-10-7(9)4-5-8/h2-4,6H2,1H3
InChIKey DJACTCNGCHPGOI-UHFFFAOYSA-N
Molecular Weight 141.170 g/mol
SMILES C(C(OCCCC)=O)C#N
SPLASH splash10-0a4l-9000000000-5c38d18697dd18da8e02
Source of Spectrum NP-1-1319-0
Synonyms Acetic acid, cyano-, butyl ester Butyl cyanoacetate Cyanoacetic acid n-butyl ester Butyl 2-cyanoacetate Butyl 2-cyanoethanoate
Wiley ID 1097946