For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1H-1,3-Diazepine-5-carboxylic acid, 7-cyano-2,3,6,7-tetrahydro-4-methyl-2-oxo-, methyl ester
SpectraBase Compound ID 7ek63WmwKNb
InChI InChI=1S/C9H11N3O3/c1-5-7(8(13)15-2)3-6(4-10)12-9(14)11-5/h6H,3H2,1-2H3,(H2,11,12,14)
InChIKey UWMVCWOHXGRSSF-UHFFFAOYSA-N
Mol Weight 209.21 g/mol
Molecular Formula C9H11N3O3
Exact Mass 209.080041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LL3Tnu22nLP
Name 1H-1,3-Diazepine-5-carboxylic acid, 7-cyano-2,3,6,7-tetrahydro-4-methyl-2-oxo-, methyl ester
Alternate Name(s) Methyl 7-cyano-2,3,6,7-tetrahydro-4-methyl-2-oxo-1H-1,3-diazepine-5-carboxylate Methyl 7-cyano-4-methyl-2-oxo-2,3,6,7-tetrahydro-1H-1,3-diazepine-5-carboxylate
CAS Registry Number 35612-00-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11N3O3
InChI InChI=1S/C9H11N3O3/c1-5-7(8(13)15-2)3-6(4-10)12-9(14)11-5/h6H,3H2,1-2H3,(H2,11,12,14)
InChIKey UWMVCWOHXGRSSF-UHFFFAOYSA-N
Molecular Weight 209.205 g/mol
SMILES N1C(=C(CC(NC1=O)C#N)C(=O)OC)C
SPLASH splash10-0a4j-9820000000-12e50c1c699e30b7eee7
Source of Spectrum I-55-903-0
Wiley ID 1207914