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1-Ethyl-3,4-dihydro-1,4-benzodiazepine-2,5-quinone

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

1-Ethyl-3,4-dihydro-1,4-benzodiazepine-2,5-quinone
SpectraBase Compound ID 2YFKoPLT7M6
InChI InChI=1S/C11H12N2O2/c1-2-13-9-6-4-3-5-8(9)11(15)12-7-10(13)14/h3-6H,2,7H2,1H3,(H,12,15)
InChIKey XMFVMZYFOUOOFC-UHFFFAOYSA-N
Mol Weight 204.23 g/mol
Molecular Formula C11H12N2O2
Exact Mass 204.089878 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LcErI3aCVLJ
Name 1-Ethyl-3,4-dihydro-1,4-benzodiazepine-2,5-quinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.089877632 u
Formula C11H12N2O2
InChI InChI=1S/C11H12N2O2/c1-2-13-9-6-4-3-5-8(9)11(15)12-7-10(13)14/h3-6H,2,7H2,1H3,(H,12,15)
InChIKey XMFVMZYFOUOOFC-UHFFFAOYSA-N
Molecular Weight 204.229 g/mol
SMILES C1(=O)C=2C=CC=CC2N(C(CN1)=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979154