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2,4(1H,3H)-Quinazolinedione, 6-chloro-3-methyl-

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

2,4(1H,3H)-Quinazolinedione, 6-chloro-3-methyl-
SpectraBase Compound ID 88Ap6Qo689C
InChI InChI=1S/C9H7ClN2O2/c1-12-8(13)6-4-5(10)2-3-7(6)11-9(12)14/h2-4H,1H3,(H,11,14)
InChIKey PGIWQURLFCAYHA-UHFFFAOYSA-N
Mol Weight 210.62 g/mol
Molecular Formula C9H7ClN2O2
Exact Mass 210.019605 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1BZvxy63QSX
Name 2,4(1H,3H)-Quinazolinedione, 6-chloro-3-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.019605171 u
Formula C9H7ClN2O2
InChI InChI=1S/C9H7ClN2O2/c1-12-8(13)6-4-5(10)2-3-7(6)11-9(12)14/h2-4H,1H3,(H,11,14)
InChIKey PGIWQURLFCAYHA-UHFFFAOYSA-N
Molecular Weight 210.620 g/mol
SMILES N1C=2C=CC(=CC2C(N(C1=O)C)=O)Cl
Spectrum/Structure Validation Score (Raman) 0.900945