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3-Methyl-6,7-dihydro-1H-benzo[b]azonine-2,4(3H,5H)-dione

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

3-Methyl-6,7-dihydro-1H-benzo[b]azonine-2,4(3H,5H)-dione
SpectraBase Compound ID 9ogywQapfoH
InChI InChI=1S/C13H15NO2/c1-9-12(15)8-4-6-10-5-2-3-7-11(10)14-13(9)16/h2-3,5,7,9H,4,6,8H2,1H3,(H,14,16)
InChIKey LXBGOYXXUQMWNT-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID uOUNWlYJzl
Name 3-Methyl-6,7-dihydro-1H-benzo[B]azonine-2,4(3H,5H)-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.110278725 u
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-9-12(15)8-4-6-10-5-2-3-7-11(10)14-13(9)16/h2-3,5,7,9H,4,6,8H2,1H3,(H,14,16)
InChIKey LXBGOYXXUQMWNT-UHFFFAOYSA-N
Molecular Weight 217.268 g/mol
SMILES C1C2=C(NC(=O)C(C)C(=O)CC1)C=CC=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958402