| SpectraBase Compound ID | G2URqGxe8b7 |
|---|---|
| InChI | InChI=1S/C12H10O4/c1-7-3-4-9-10(5-7)16-12(14)6-11(9)15-8(2)13/h3-6H,1-2H3 |
| InChIKey | LRLKKVRRORTCAK-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 | 4IixcveNkop |
|---|---|
| Name | 4-Acetyloxy-7-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/c1-7-3-4-9-10(5-7)16-12(14)6-11(9)15-8(2)13/h3-6H,1-2H3 |
| InChIKey | LRLKKVRRORTCAK-UHFFFAOYSA-N |
| Molecular Weight | 218.208 g/mol |
| SMILES | C1(=CC=C2C(=C1)OC(=O)C=C2OC(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979306 |