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2-[(E)-but-2-enyl]-5-cyano-4-hydroxy-6-heptenoic acid ethyl ester
SpectraBase Compound ID GJd5VVCwq1a
InChI InChI=1S/C14H21NO3/c1-4-7-8-12(14(17)18-6-3)9-13(16)11(5-2)10-15/h4-5,7,11-13,16H,2,6,8-9H2,1,3H3/b7-4+
InChIKey BNHYBUACMWNZMB-QPJJXVBHSA-N
Mol Weight 251.33 g/mol
Molecular Formula C14H21NO3
Exact Mass 251.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B06Eo7v7uHA
Name 2-[(E)-but-2-enyl]-5-cyano-4-hydroxy-6-heptenoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO3
InChI InChI=1S/C14H21NO3/c1-4-7-8-12(14(17)18-6-3)9-13(16)11(5-2)10-15/h4-5,7,11-13,16H,2,6,8-9H2,1,3H3/b7-4+
InChIKey BNHYBUACMWNZMB-QPJJXVBHSA-N
Molecular Weight 251.326 g/mol
SMILES OC(CC(C(=O)OCC)C\C=C\C)C(C#N)C=C
SPLASH splash10-0691-9100000000-d206b8eee90c8d3d32f5
Source of Spectrum SK-26-3189-3
Synonyms 2-[(E)-but-2-enyl]-5-cyano-4-hydroxy-hept-6-enoic acid ethyl ester Ethyl 2-[(E)-but-2-enyl]-5-cyano-4-hydroxy-hept-6-enoate Ethyl 2-[(E)-but-2-enyl]-5-cyano-4-oxidanyl-hept-6-enoate
Wiley ID 867376