SpectraBase Compound ID | C0spbB6HpoY |
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InChI | InChI=1S/C10H8O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4,11,13H,1H3 |
InChIKey | NWQBYMPNIJXFNQ-UHFFFAOYSA-N |
Mol Weight | 192.17 g/mol |
Molecular Formula | C10H8O4 |
Exact Mass | 192.042259 g/mol |
SpectraBase Spectrum ID | 9lN4QNrXRev |
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Name | 7,8-Dihydroxy-4-methylcoumarin |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 192.042258734 u |
Formula | C10H8O4 |
InChI | InChI=1S/C10H8O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4,11,13H,1H3 |
InChIKey | NWQBYMPNIJXFNQ-UHFFFAOYSA-N |
SMILES | OC1=C(C=2OC(C=C(C2C=C1)C)=O)O |
Spectrum/Structure Validation Score (Raman) | 0.980272 |