| SpectraBase Compound ID | K8y0BLfSP8I |
|---|---|
| InChI | InChI=1S/C12H10O4/c1-7(13)11-9(15-2)5-3-8-4-6-10(14)16-12(8)11/h3-6H,1-2H3 |
| InChIKey | OTYBDEHZHXKGBO-UHFFFAOYSA-N |
| Mol Weight | 218.21 g/mol |
| Molecular Formula | C12H10O4 |
| Exact Mass | 218.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B4eL1Do6ALX |
|---|---|
| Name | 8-Acetyl-7-methoxycoumarin |
| 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/c1-7(13)11-9(15-2)5-3-8-4-6-10(14)16-12(8)11/h3-6H,1-2H3 |
| InChIKey | OTYBDEHZHXKGBO-UHFFFAOYSA-N |
| Molecular Weight | 218.208 g/mol |
| SMILES | CC(=O)C1=C2C(=CC=C1OC)C=CC(=O)O2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893451 |