For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-Methyl-5,6-dihydrobenzo[b]azocine-2,4(1H,3H)-dione

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

3-Methyl-5,6-dihydrobenzo[b]azocine-2,4(1H,3H)-dione
SpectraBase Compound ID I71Cv2DaKzf
InChI InChI=1S/C12H13NO2/c1-8-11(14)7-6-9-4-2-3-5-10(9)13-12(8)15/h2-5,8H,6-7H2,1H3,(H,13,15)
InChIKey HHCYZRHHHHJFDP-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JaF9sCjZsz9
Name 3-Methyl-5,6-dihydrobenzo[B]azocine-2,4(1H,3H)-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 203.094628661 u
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-8-11(14)7-6-9-4-2-3-5-10(9)13-12(8)15/h2-5,8H,6-7H2,1H3,(H,13,15)
InChIKey HHCYZRHHHHJFDP-UHFFFAOYSA-N
Molecular Weight 203.241 g/mol
SMILES C1=CC=CC=2CCC(C(C(NC12)=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970988