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2-Pentenoic acid, 2-cyano-4-methyl-, methyl ester, (E)-
SpectraBase Compound ID 3fMmNypraGN
InChI InChI=1S/C8H11NO2/c1-6(2)4-7(5-9)8(10)11-3/h4,6H,1-3H3/b7-4-
InChIKey FDILFYNNWCYKCO-DAXSKMNVSA-N
Mol Weight 153.18 g/mol
Molecular Formula C8H11NO2
Exact Mass 153.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQ69X8H4m0D
Name 2-Pentenoic acid, 2-cyano-4-methyl-, methyl ester, (E)-
CAS Registry Number 60135-01-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11NO2
InChI InChI=1S/C8H11NO2/c1-6(2)4-7(5-9)8(10)11-3/h4,6H,1-3H3/b7-4-
InChIKey FDILFYNNWCYKCO-DAXSKMNVSA-N
Molecular Weight 153.181 g/mol
SMILES C(\C(=C/C(C)C)C#N)(=O)OC
SPLASH splash10-05mo-9400000000-12f55edd8db9ed7ab553
Source of Spectrum AN-87-221-0
Synonyms (E)-Methyl 2-cyano-4-methyl-3-pentenoate (E)-Methyl-2-cyano-4-methyl-2-pentenoate Methyl 2-cyano-4-methyl-3-pentenoate
Wiley ID 1150326