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2H-5,5a-dihydrodiazepieno[5,6-b][1]benzopyran-11-one

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

2H-5,5a-dihydrodiazepieno[5,6-b][1]benzopyran-11-one
SpectraBase Compound ID 8vsfOgmJ0Fr
InChI InChI=1S/C12H10N2O2/c15-12-8-3-1-2-4-10(8)16-11-5-6-13-14-7-9(11)12/h1-4,6-7,11,14H,5H2
InChIKey DGSVFPWLHUOIKZ-UHFFFAOYSA-N
Mol Weight 214.22 g/mol
Molecular Formula C12H10N2O2
Exact Mass 214.074228 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IYNNECV2LQE
Name 2H-5,5A-Dihydrodiazepieno[5,6-B][1]benzopyran-11-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.074227568 u
Formula C12H10N2O2
InChI InChI=1S/C12H10N2O2/c15-12-8-3-1-2-4-10(8)16-11-5-6-13-14-7-9(11)12/h1-4,6-7,11,14H,5H2
InChIKey DGSVFPWLHUOIKZ-UHFFFAOYSA-N
Molecular Weight 214.224 g/mol
SMILES C=12C(C3=CC=CC=C3OC2CC=NNC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946636