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4,4-Dimethoxy-2,3-dihydro-2-benzazepine-1,5-dione

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

4,4-Dimethoxy-2,3-dihydro-2-benzazepine-1,5-dione
SpectraBase Compound ID JXO1y7qHc
InChI InChI=1S/C12H13NO4/c1-16-12(17-2)7-13-11(15)9-6-4-3-5-8(9)10(12)14/h3-6H,7H2,1-2H3,(H,13,15)
InChIKey HNNOVYQLVHDEKV-UHFFFAOYSA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7ODSrT2Sk9
Name 4,4-Dimethoxy-2,3-dihydro-2-benzazepine-1,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.084457899 u
Formula C12H13NO4
InChI InChI=1S/C12H13NO4/c1-16-12(17-2)7-13-11(15)9-6-4-3-5-8(9)10(12)14/h3-6H,7H2,1-2H3,(H,13,15)
InChIKey HNNOVYQLVHDEKV-UHFFFAOYSA-N
Molecular Weight 235.239 g/mol
SMILES C1(C(CNC(C=2C1=CC=CC2)=O)(OC)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916269