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2-(dichloromethyl)-3-methyl-4(3H)-quinazolinone

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

2-(dichloromethyl)-3-methyl-4(3H)-quinazolinone
SpectraBase Compound ID ATIuri3lrxI
InChI InChI=1S/C10H8Cl2N2O/c1-14-9(8(11)12)13-7-5-3-2-4-6(7)10(14)15/h2-5,8H,1H3
InChIKey VAOLQQZDTQCLLG-UHFFFAOYSA-N
Mol Weight 243.09 g/mol
Molecular Formula C10H8Cl2N2O
Exact Mass 242.001368 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 48HwMxyZ5dQ
Name 2-(Dichloromethyl)-3-methyl-4(3H)-quinazolinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.001368285 u
Formula C10H8Cl2N2O
InChI InChI=1S/C10H8Cl2N2O/c1-14-9(8(11)12)13-7-5-3-2-4-6(7)10(14)15/h2-5,8H,1H3
InChIKey VAOLQQZDTQCLLG-UHFFFAOYSA-N
Molecular Weight 243.093 g/mol
SMILES C=12C=CC=CC1N=C(N(C2=O)C)C(Cl)Cl
Spectrum/Structure Validation Score (Raman) 0.889511