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2-Pentenoic acid, 2-cyano-4-oxo-, ethyl ester
SpectraBase Compound ID IoW8sSnTNro
InChI InChI=1S/C8H9NO3/c1-3-12-8(11)7(5-9)4-6(2)10/h4H,3H2,1-2H3/b7-4-
InChIKey KKGIJNNRGRCBDR-DAXSKMNVSA-N
Mol Weight 167.16 g/mol
Molecular Formula C8H9NO3
Exact Mass 167.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dywe3cBzud
Name 2-Pentenoic acid, 2-cyano-4-oxo-, ethyl ester
CAS Registry Number 80569-26-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO3
InChI InChI=1S/C8H9NO3/c1-3-12-8(11)7(5-9)4-6(2)10/h4H,3H2,1-2H3/b7-4-
InChIKey KKGIJNNRGRCBDR-DAXSKMNVSA-N
Molecular Weight 167.164 g/mol
SMILES C(\C(=C/C(=O)C)C#N)(=O)OCC
SPLASH splash10-0uk9-0900000000-543fa7f19a45afa4706c
Source of Spectrum K-114-3874-0
Synonyms Ethyl (2Z)-2-cyano-4-oxo-2-pentenoate Ethylester of 2-cyano-4-oxo-2-pentenecarboxylic acid
Wiley ID 1163488