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2-Butenoic acid, 2-(cyanomethyl)-, ethyl ester
SpectraBase Compound ID 7KhQkaNFuM7
InChI InChI=1S/C8H11NO2/c1-3-7(5-6-9)8(10)11-4-2/h3H,4-5H2,1-2H3/b7-3+
InChIKey XBVRGXYOJPHDFH-XVNBXDOJSA-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 4dXosCOnNZj
Name 2-Butenoic acid, 2-(cyanomethyl)-, ethyl ester
CAS Registry Number 54244-77-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11NO2
InChI InChI=1S/C8H11NO2/c1-3-7(5-6-9)8(10)11-4-2/h3H,4-5H2,1-2H3/b7-3+
InChIKey XBVRGXYOJPHDFH-XVNBXDOJSA-N
Molecular Weight 153.181 g/mol
SMILES CCOC(=O)\C(CC#N)=C\C
SPLASH splash10-053r-9500000000-ada3739a774129430657
Source of Spectrum AD-0-3365-0
Synonyms Ethyl (2E)-2-(cyanomethyl)-2-butenoate (E)-2-(cyanomethyl)-2-butenoic acid ethyl ester (E)-2-(cyanomethyl)but-2-enoic acid ethyl ester Ethyl (E)-2-(cyanomethyl)but-2-enoate
Wiley ID 1150331