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2-Pentenedioic acid, 3-amino-, diethyl ester
SpectraBase Compound ID IJkfnufZJMN
InChI InChI=1S/C9H15NO4/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h5H,3-4,6,10H2,1-2H3/b7-5-
InChIKey OKSCSBYHIMCKQY-ALCCZGGFSA-N
Mol Weight 201.22 g/mol
Molecular Formula C9H15NO4
Exact Mass 201.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlsSCxkga4Z
Name 2-Pentenedioic acid, 3-amino-, diethyl ester
CAS Registry Number 54889-50-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15NO4
InChI InChI=1S/C9H15NO4/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h5H,3-4,6,10H2,1-2H3/b7-5-
InChIKey OKSCSBYHIMCKQY-ALCCZGGFSA-N
Molecular Weight 201.222 g/mol
SMILES N\C(=C/C(=O)OCC)CC(=O)OCC
SPLASH splash10-004i-8940000000-2328f9942f46fa09c38f
Source of Spectrum JX-2015-6-218
Synonyms Diethyl (2Z)-3-amino-2-pentenedioate (Z)-3-amino-2-pentenedioic acid diethyl ester (Z)-3-aminopent-2-enedioic acid diethyl ester Diethyl (Z)-3-aminopent-2-enedioate Diethyl (Z)-3-azanylpent-2-enedioate Diethyl 3-aminoglutaconate Diethyl 3-amino-2-n-pentenedioate (Z)-diethyl 3-aminopent-2-enedioate
Wiley ID 1727771