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Butanoic acid, 3-cyano-3-hydroxy-, ethyl ester
SpectraBase Compound ID 8xd1KmliICV
InChI InChI=1S/C7H11NO3/c1-3-11-6(9)4-7(2,10)5-8/h10H,3-4H2,1-2H3
InChIKey NRQQCDLVGWWNRQ-UHFFFAOYSA-N
Mol Weight 157.17 g/mol
Molecular Formula C7H11NO3
Exact Mass 157.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnmeRDGrd4v
Name Butanoic acid, 3-cyano-3-hydroxy-, ethyl ester
CAS Registry Number 6330-37-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NO3
InChI InChI=1S/C7H11NO3/c1-3-11-6(9)4-7(2,10)5-8/h10H,3-4H2,1-2H3
InChIKey NRQQCDLVGWWNRQ-UHFFFAOYSA-N
Molecular Weight 157.169 g/mol
SMILES OC(C)(CC(OCC)=O)C#N
SPLASH splash10-002f-9000000000-a37e5b29236e9b7606ac
Source of Spectrum T-68-899-0
Synonyms Ethyl 3-cyano-3-hydroxybutanoate 3-cyano-3-hydroxy-butyric acid ethyl ester 3-cyano-3-hydroxybutanoic acid ethyl ester Butyric acid, 3-cyano-3-hydroxy-, ethyl ester Ethyl 3-cyano-3-oxidanyl-butanoate Ethyl acetoacetate cyanohydrin
Wiley ID 11999