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(E)-2-acetamido-6-cyano-4-methylene-5-hexenoic acid ethyl ester
SpectraBase Compound ID JJimKyaB6Ft
InChI InChI=1S/C12H16N2O3/c1-4-17-12(16)11(14-10(3)15)8-9(2)6-5-7-13/h5-6,11H,2,4,8H2,1,3H3,(H,14,15)/b6-5+
InChIKey UMIZOGNRGOXEJD-AATRIKPKSA-N
Mol Weight 236.27 g/mol
Molecular Formula C12H16N2O3
Exact Mass 236.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VIHxVkJy8W
Name (E)-2-acetamido-6-cyano-4-methylene-5-hexenoic acid ethyl ester
Alternate Name(s) (E)-2-acetamido-6-cyano-4-methylene-hex-5-enoic acid ethyl ester ethyl (5E)-2-(acetylamino)-6-cyano-4-methylene-5-hexenoate ethyl (E)-2-acetamido-6-cyano-4-methylene-hex-5-enoate ethyl (E)-2-acetamido-6-cyano-4-methylidene-hex-5-enoate
Comments Removed - expert review: contamination (CH2Cl2); A corrected record has been addded having SpectrumID: 1821206
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O3
InChI InChI=1S/C12H16N2O3/c1-4-17-12(16)11(14-10(3)15)8-9(2)6-5-7-13/h5-6,11H,2,4,8H2,1,3H3,(H,14,15)/b6-5+
InChIKey UMIZOGNRGOXEJD-AATRIKPKSA-N
Molecular Weight 236.271 g/mol
SMILES N(C(C(=O)OCC)CC(\C=C\C#N)=C)C(=O)C
SPLASH splash10-003u-9100000000-b28d2014184139a80e7f
Source of Spectrum F-50-2633-3
Wiley ID 1237909