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4-Pentenoic acid, 2-cyano-5-methoxy-, methyl ester, (E)-
SpectraBase Compound ID CkVnrbHK2eH
InChI InChI=1S/C8H11NO3/c1-11-5-3-4-7(6-9)8(10)12-2/h3,5,7H,4H2,1-2H3/b5-3+
InChIKey SCNAQGUBCUKFLS-HWKANZROSA-N
Mol Weight 169.18 g/mol
Molecular Formula C8H11NO3
Exact Mass 169.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GfXV82wo9Bf
Name 4-Pentenoic acid, 2-cyano-5-methoxy-, methyl ester, (E)-
CAS Registry Number 87698-42-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11NO3
InChI InChI=1S/C8H11NO3/c1-11-5-3-4-7(6-9)8(10)12-2/h3,5,7H,4H2,1-2H3/b5-3+
InChIKey SCNAQGUBCUKFLS-HWKANZROSA-N
Molecular Weight 169.180 g/mol
SMILES C(C(C#N)C\C=C\OC)(=O)OC
SPLASH splash10-00di-9000000000-351062becec6c534e81f
Source of Spectrum J-49-151-0
Synonyms (E)-2-cyano-5-methoxy-4-pentenoic acid methyl ester (E)-2-cyano-5-methoxy-pent-4-enoic acid methyl ester Methyl (E)-2-cyano-5-methoxy-pent-4-enoate
Wiley ID 1165689