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1,5-Diacetyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine

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

1,5-Diacetyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine
SpectraBase Compound ID JsCE4BV1DVU
InChI InChI=1S/C14H18N2O2/c1-10-8-9-15(11(2)17)13-6-4-5-7-14(13)16(10)12(3)18/h4-7,10H,8-9H2,1-3H3
InChIKey DIRFSQUICVXANH-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C14H18N2O2
Exact Mass 246.136828 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ibd4dODcXNJ
Name 1,5-Diacetyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.136827826 u
Formula C14H18N2O2
InChI InChI=1S/C14H18N2O2/c1-10-8-9-15(11(2)17)13-6-4-5-7-14(13)16(10)12(3)18/h4-7,10H,8-9H2,1-3H3
InChIKey DIRFSQUICVXANH-UHFFFAOYSA-N
Molecular Weight 246.310 g/mol
SMILES C1N(C=2C(N(C(C1)C)C(=O)C)=CC=CC2)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91817