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3-Phenyl-2,4(1H,3H)-quinazolinedione

View entire compound with spectra: 3 NMR, 1 FTIR, 1 Raman, and 4 MS (GC)

3-Phenyl-2,4(1H,3H)-quinazolinedione
SpectraBase Compound ID D6QRJeemLyj
InChI InChI=1S/C14H10N2O2/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-9H,(H,15,18)
InChIKey BHQNJNLXFVJFFI-UHFFFAOYSA-N
Mol Weight 238.25 g/mol
Molecular Formula C14H10N2O2
Exact Mass 238.074228 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2dV2vQPQyPf
Name 3-Phenyl-2,4-(1H,3H)-quinazolinedione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.074227568 u
Formula C14H10N2O2
InChI InChI=1S/C14H10N2O2/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-9H,(H,15,18)
InChIKey BHQNJNLXFVJFFI-UHFFFAOYSA-N
Molecular Weight 238.246 g/mol
SMILES C1(N(C(C=2C(N1)=CC=CC2)=O)C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Raman) 0.992717