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1H-1,3-Diazepine-5-carboxylic acid, 7-cyano-2,3,6,7-tetrahydro-4-methyl-2-oxo-, ethyl ester
SpectraBase Compound ID 7h4Jhai1DHM
InChI InChI=1S/C10H13N3O3/c1-3-16-9(14)8-4-7(5-11)13-10(15)12-6(8)2/h7H,3-4H2,1-2H3,(H2,12,13,15)
InChIKey ARRGAYVXHOIYTG-UHFFFAOYSA-N
Mol Weight 223.23 g/mol
Molecular Formula C10H13N3O3
Exact Mass 223.095691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IYbwNckxqtN
Name 1H-1,3-Diazepine-5-carboxylic acid, 7-cyano-2,3,6,7-tetrahydro-4-methyl-2-oxo-, ethyl ester
CAS Registry Number 56198-43-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13N3O3
InChI InChI=1S/C10H13N3O3/c1-3-16-9(14)8-4-7(5-11)13-10(15)12-6(8)2/h7H,3-4H2,1-2H3,(H2,12,13,15)
InChIKey ARRGAYVXHOIYTG-UHFFFAOYSA-N
Molecular Weight 223.232 g/mol
SMILES N1C(=C(CC(NC1=O)C#N)C(=O)OCC)C
SPLASH splash10-006w-9820000000-bd782bc6dee8d1e5d269
Source of Spectrum I-55-903-0
Synonyms Ethyl 7-cyano-2,3,6,7-tetrahydro-4-methyl-2-oxo-1H-1,3-diazepine-5-carboxylate Ethyl 7-cyano-4-methyl-2-oxo-2,3,6,7-tetrahydro-1H-1,3-diazepine-5-carboxylate
Wiley ID 1223796