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1H-1,4-Benzodiazepine, 1,4-diacetyl-2,3,4,5-tetrahydro-

View entire compound with spectra: 1 FTIR

1H-1,4-Benzodiazepine, 1,4-diacetyl-2,3,4,5-tetrahydro-
SpectraBase Compound ID 6ThX7XnBe5z
InChI InChI=1S/C13H16N2O2/c1-10(16)14-7-8-15(11(2)17)13-6-4-3-5-12(13)9-14/h3-6H,7-9H2,1-2H3
InChIKey CDXKXJJELLWWPW-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C13H16N2O2
Exact Mass 232.121178 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G4JFIF5nyg0
Name 1H-1,4-Benzodiazepine, 1,4-diacetyl-2,3,4,5-tetrahydro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.121177761 u
Formula C13H16N2O2
InChI InChI=1S/C13H16N2O2/c1-10(16)14-7-8-15(11(2)17)13-6-4-3-5-12(13)9-14/h3-6H,7-9H2,1-2H3
InChIKey CDXKXJJELLWWPW-UHFFFAOYSA-N
Molecular Weight 232.283 g/mol
SMILES C1N(CC2=C(N(C1)C(C)=O)C=CC=C2)C(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892196