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5,6-Dihydro-1H-benzo[h]quinazolin-4-one

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

5,6-Dihydro-1H-benzo[h]quinazolin-4-one
SpectraBase Compound ID JtwKOlWGeNr
InChI InChI=1S/C12H10N2O/c15-12-10-6-5-8-3-1-2-4-9(8)11(10)13-7-14-12/h1-4,7H,5-6H2,(H,13,14,15)
InChIKey UZBYZWOESBBUFB-UHFFFAOYSA-N
Mol Weight 198.22 g/mol
Molecular Formula C12H10N2O
Exact Mass 198.079313 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9Q2W2tIIttm
Name 5,6-Dihydro-1H-benzo[H]quinazolin-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.079312949 u
Formula C12H10N2O
InChI InChI=1S/C12H10N2O/c15-12-10-6-5-8-3-1-2-4-9(8)11(10)13-7-14-12/h1-4,7H,5-6H2,(H,13,14,15)
InChIKey UZBYZWOESBBUFB-UHFFFAOYSA-N
Molecular Weight 198.225 g/mol
SMILES C1=NC=2C=3C(CCC2C(N1)=O)=CC=CC3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.883804