| SpectraBase Compound ID | xaCM8kroyx |
|---|---|
| InChI | InChI=1S/C12H10O4/c1-6-5-10(15)16-12-8(6)3-4-9(14)11(12)7(2)13/h3-5,14H,1-2H3 |
| InChIKey | WZOMQVFUPMLOGT-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 | BFwGKho3CVT |
|---|---|
| Name | 8-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/c1-6-5-10(15)16-12-8(6)3-4-9(14)11(12)7(2)13/h3-5,14H,1-2H3 |
| InChIKey | WZOMQVFUPMLOGT-UHFFFAOYSA-N |
| Molecular Weight | 218.208 g/mol |
| SMILES | OC=1C=CC=2C(=CC(OC2C1C(=O)C)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.98551 |