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2H-1-Benzopyran-2-one, 3-methyl-6-nitro-

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

2H-1-Benzopyran-2-one, 3-methyl-6-nitro-
SpectraBase Compound ID I30HQfXnusJ
InChI InChI=1S/C10H7NO4/c1-6-4-7-5-8(11(13)14)2-3-9(7)15-10(6)12/h2-5H,1H3
InChIKey PWANMOIIIMORBV-UHFFFAOYSA-N
Mol Weight 205.17 g/mol
Molecular Formula C10H7NO4
Exact Mass 205.037508 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KedE1azGpWI
Name 2H-1-Benzopyran-2-one, 3-methyl-6-nitro-; 3-methylcoumarin-6-nitro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 205.037507705 u
Formula C10H7NO4
InChI InChI=1S/C10H7NO4/c1-6-4-7-5-8(11(13)14)2-3-9(7)15-10(6)12/h2-5H,1H3
InChIKey PWANMOIIIMORBV-UHFFFAOYSA-N
Molecular Weight 205.169 g/mol
SMILES C1(C(=CC=2C=C(C=CC2O1)[N+]([O-])=O)C)=O
Spectrum/Structure Validation Score (Raman) 0.963549