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1H-1,3-Diazepine-5-carboxylic acid, hexahydro-4-methyl-2-oxo-, ethyl ester
SpectraBase Compound ID 4TSq1VxrA8n
InChI InChI=1S/C9H16N2O3/c1-3-14-8(12)7-4-5-10-9(13)11-6(7)2/h6-7H,3-5H2,1-2H3,(H2,10,11,13)
InChIKey LHWKSHJHKCSBIH-UHFFFAOYSA-N
Mol Weight 200.24 g/mol
Molecular Formula C9H16N2O3
Exact Mass 200.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8zXDSi7pJy
Name 1H-1,3-Diazepine-5-carboxylic acid, hexahydro-4-methyl-2-oxo-, ethyl ester
CAS Registry Number 64613-06-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16N2O3
InChI InChI=1S/C9H16N2O3/c1-3-14-8(12)7-4-5-10-9(13)11-6(7)2/h6-7H,3-5H2,1-2H3,(H2,10,11,13)
InChIKey LHWKSHJHKCSBIH-UHFFFAOYSA-N
Molecular Weight 200.238 g/mol
SMILES N1C(C(CCNC1=O)C(=O)OCC)C
SPLASH splash10-0006-9000000000-ba6c4cab94a0831cf31b
Source of Spectrum I-55-904-0
Synonyms Ethyl 2,3,4,5,6,7-hexahydro-4-methyl-2-oxo-1H-1,3-diazepine-5-carboxylate Ethyl 4-methyl-2-oxohexahydro-1H-1,3-diazepine-5-carboxylate
Wiley ID 1197286