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2,3,4,5-Tetrahydro-1H-1,4-benzodiazepine-2,5-dione

View entire compound with spectra: 3 NMR, 2 FTIR, 1 Raman, and 1 MS (GC)

2,3,4,5-Tetrahydro-1H-1,4-benzodiazepine-2,5-dione
SpectraBase Compound ID K43WYOzsfTN
InChI InChI=1S/C9H8N2O2/c12-8-5-10-9(13)6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,13)(H,11,12)
InChIKey AZHGGDCFQPMANU-UHFFFAOYSA-N
Mol Weight 176.18 g/mol
Molecular Formula C9H8N2O2
Exact Mass 176.058578 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4zeaIsQujLT
Name 3H-1,4-Benzodiazepine-2,5(1H,4H)-dione
CAS Registry Number 5118-94-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H8N2O2
InChI InChI=1S/C9H8N2O2/c12-8-5-10-9(13)6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,13)(H,11,12)
InChIKey AZHGGDCFQPMANU-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference G. Mohiuddin, P.S. Reddy, C.V. Ratnam, Magn. Res. Chem. 25, 642 (1987).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3