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1H-1,3-Diazepine-5-carboxylic acid, 7-(2,5-dioxo-1-pyrrolidinyl)-2,3,6,7-tetrahydro-4-methyl-2-oxo-, ethyl ester
SpectraBase Compound ID EaLUjpvwWbi
InChI InChI=1S/C13H17N3O5/c1-3-21-12(19)8-6-9(15-13(20)14-7(8)2)16-10(17)4-5-11(16)18/h9H,3-6H2,1-2H3,(H2,14,15,20)
InChIKey LBLQFMCQVANSMC-UHFFFAOYSA-N
Mol Weight 295.29 g/mol
Molecular Formula C13H17N3O5
Exact Mass 295.116821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88C48KJ78BY
Name 1H-1,3-Diazepine-5-carboxylic acid, 7-(2,5-dioxo-1-pyrrolidinyl)-2,3,6,7-tetrahydro-4-methyl-2-oxo-, ethyl ester
CAS Registry Number 64613-01-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O5
InChI InChI=1S/C13H17N3O5/c1-3-21-12(19)8-6-9(15-13(20)14-7(8)2)16-10(17)4-5-11(16)18/h9H,3-6H2,1-2H3,(H2,14,15,20)
InChIKey LBLQFMCQVANSMC-UHFFFAOYSA-N
Molecular Weight 295.295 g/mol
SMILES N1C(NC(=C(CC1N1C(CCC1=O)=O)C(=O)OCC)C)=O
SPLASH splash10-052b-4900000000-8914f2b35ccd51522eb6
Source of Spectrum I-55-903-0
Synonyms Ethyl 2,3,6,7-tetrahydro-4-methyl-2-oxo-7-(1-succinimino)-1H-1,3-diazepine-5-carboxylate Ethyl 7-(2,5-dioxo-1-pyrrolidinyl)-4-methyl-2-oxo-2,3,6,7-tetrahydro-1H-1,3-diazepine-5-carboxylate
Wiley ID 1298003