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4-Heptenoic acid, 2-cyano-4-methyl-6-oxo-, ethyl ester, (E)-
SpectraBase Compound ID GtBrlmAkSoQ
InChI InChI=1S/C11H15NO3/c1-4-15-11(14)10(7-12)6-8(2)5-9(3)13/h5,10H,4,6H2,1-3H3/b8-5+
InChIKey WKJNXNIDPYVLLZ-VMPITWQZSA-N
Mol Weight 209.24 g/mol
Molecular Formula C11H15NO3
Exact Mass 209.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyKDfhKNVPo
Name 4-Heptenoic acid, 2-cyano-4-methyl-6-oxo-, ethyl ester, (E)-
CAS Registry Number 63082-48-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15NO3
InChI InChI=1S/C11H15NO3/c1-4-15-11(14)10(7-12)6-8(2)5-9(3)13/h5,10H,4,6H2,1-3H3/b8-5+
InChIKey WKJNXNIDPYVLLZ-VMPITWQZSA-N
Molecular Weight 209.245 g/mol
SMILES C(C(=O)OCC)(C#N)C\C(=C\C(=O)C)C
SPLASH splash10-006x-9400000000-af84183df20ae2a263cc
Source of Spectrum B-30-560-0
Synonyms Ethyl (4E)-2-cyano-4-methyl-6-oxo-4-heptenoate Ethyl 2-cyano-4-methyl-6-oxohept-4-enoate
Wiley ID 1208069