| SpectraBase Compound ID | AGclUBy3Hnt |
|---|---|
| InChI | InChI=1S/C12H10O4/c1-6-3-12(15)16-11-5-10(14)9(7(2)13)4-8(6)11/h3-5,14H,1-2H3 |
| InChIKey | AYAFDQIOLUUJHW-UHFFFAOYSA-N |
| Mol Weight | 218.21 g/mol |
| Molecular Formula | C12H10O4 |
| Exact Mass | 218.057909 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1ENrN9eGvrI |
|---|---|
| Name | 6-Acetyl-7-hydroxy-4-methylcoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.057908798 u |
| Formula | C12H10O4 |
| InChI | InChI=1S/C12H10O4/c1-6-3-12(15)16-11-5-10(14)9(7(2)13)4-8(6)11/h3-5,14H,1-2H3 |
| InChIKey | AYAFDQIOLUUJHW-UHFFFAOYSA-N |
| Molecular Weight | 218.208 g/mol |
| SMILES | OC=1C(=CC=2C(=CC(OC2C1)=O)C)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.97417 |