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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHIDhwTVAt0
Name 1H-1,4-Benzodiazepine-2,5-dione, 3,4-dihydro-
Alternate Name(s) 3,4-Dihydro-1H-1,4-benzodiazepine-2,5-dione 3,4-Dihydro-1H-1,4-benzodiazepine-2,5-quinone 3H-1,4-Benzodiazepin-2,5(1H,4H)-dione
CAS Registry Number 5118-94-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 176.175 g/mol
SMILES N1C(c2ccccc2NC(C1)=O)=O
SPLASH splash10-00vm-2900000000-804fd68a3558a8b56456
Source of Spectrum O-20-787-1
Wiley ID 1172141