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2-Methyl-3-(alpha-methylphenethyl)-4(3H)-quinazolinone, hydrochloride

View entire compound with spectra: 1 FTIR, and 1 Raman

2-Methyl-3-(alpha-methylphenethyl)-4(3H)-quinazolinone, hydrochloride
SpectraBase Compound ID 6bJxESb4RDa
InChI InChI=1S/C18H18N2O.ClH/c1-13(12-15-8-4-3-5-9-15)20-14(2)19-17-11-7-6-10-16(17)18(20)21;/h3-11,13H,12H2,1-2H3;1H
InChIKey TZAQVPQLMFRNJN-UHFFFAOYSA-N
Mol Weight 314.82 g/mol
Molecular Formula C18H19ClN2O
Exact Mass 314.118591 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5mAbBEpFDC2
Name 2-Methyl-3-(alpha-methylphenethyl)-4(3H)-quinazolinone, hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.118590939 u
Formula C18H19ClN2O
InChI InChI=1S/C18H18N2O.ClH/c1-13(12-15-8-4-3-5-9-15)20-14(2)19-17-11-7-6-10-16(17)18(20)21;/h3-11,13H,12H2,1-2H3;1H
InChIKey TZAQVPQLMFRNJN-UHFFFAOYSA-N
SMILES C1=C(CC(N2C(=NC3=C(C=CC=C3)C2=O)C)C)C=CC=C1.Cl
Spectrum/Structure Validation Score (Raman) 0.882581