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Pentanedioic acid, 2-(1-amino-3-oxo-1-butenyl)-, diethyl ester, (Z)-
SpectraBase Compound ID HEgbrRjPoho
InChI InChI=1S/C13H21NO5/c1-4-18-12(16)7-6-10(13(17)19-5-2)11(14)8-9(3)15/h8,10H,4-7,14H2,1-3H3/b11-8-
InChIKey XOQSNXUDEIGPQV-FLIBITNWSA-N
Mol Weight 271.31 g/mol
Molecular Formula C13H21NO5
Exact Mass 271.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GdinMTEzFe3
Name Pentanedioic acid, 2-(1-amino-3-oxo-1-butenyl)-, diethyl ester, (Z)-
Alternate Name(s) Diethyl 2-[(1Z)-1-amino-3-oxo-1-butenyl]pentanedioate Diethyl 2-[1'-amino-3'-oxobut-1'(Z)-enyl]glutarate
CAS Registry Number 107428-90-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO5
InChI InChI=1S/C13H21NO5/c1-4-18-12(16)7-6-10(13(17)19-5-2)11(14)8-9(3)15/h8,10H,4-7,14H2,1-3H3/b11-8-
InChIKey XOQSNXUDEIGPQV-FLIBITNWSA-N
Molecular Weight 271.313 g/mol
SMILES N\C(C(C(=O)OCC)CCC(=O)OCC)=C/C(=O)C
SPLASH splash10-00e9-1950000000-6e6da83277b92577ecc0
Source of Spectrum KC-1986-930-6
Wiley ID 1275173