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4(1H)-Quinazolinone, 2-methyl-7-nitro-

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

4(1H)-Quinazolinone, 2-methyl-7-nitro-
SpectraBase Compound ID EcEfiCCEr8f
InChI InChI=1S/C9H7N3O3/c1-5-10-8-4-6(12(14)15)2-3-7(8)9(13)11-5/h2-4H,1H3,(H,10,11,13)
InChIKey VADFPLYOLRQHBF-UHFFFAOYSA-N
Mol Weight 205.17 g/mol
Molecular Formula C9H7N3O3
Exact Mass 205.048741 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9gNH88uYdIG
Name 4(1H)-Quinazolinone, 2-methyl-7-nitro-; 4(3H)-quinazolinone, 2-methyl-7-nitro-; 4-quinazolinol, 2-methyl-7-nitro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 205.048741094 u
Formula C9H7N3O3
InChI InChI=1S/C9H7N3O3/c1-5-10-8-4-6(12(14)15)2-3-7(8)9(13)11-5/h2-4H,1H3,(H,10,11,13)
InChIKey VADFPLYOLRQHBF-UHFFFAOYSA-N
Molecular Weight 205.173 g/mol
SMILES N1C(C=2C=CC(=CC2N=C1C)[N+]([O-])=O)=O
Spectrum/Structure Validation Score (Raman) 0.974426