| SpectraBase Compound ID | 7jYvna3JM4q |
|---|---|
| InChI | InChI=1S/C17H12O4/c1-11(18)20-13-7-8-14-15(12-5-3-2-4-6-12)10-17(19)21-16(14)9-13/h2-10H,1H3 |
| InChIKey | HLTWQCBRAPCNSP-UHFFFAOYSA-N |
| Mol Weight | 280.28 g/mol |
| Molecular Formula | C17H12O4 |
| Exact Mass | 280.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CXgXoP955ZF |
|---|---|
| Name | 4-Phenyl-7-acetoxycoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.073558862 u |
| Formula | C17H12O4 |
| InChI | InChI=1S/C17H12O4/c1-11(18)20-13-7-8-14-15(12-5-3-2-4-6-12)10-17(19)21-16(14)9-13/h2-10H,1H3 |
| InChIKey | HLTWQCBRAPCNSP-UHFFFAOYSA-N |
| SMILES | C1(OC2=CC(=CC=C2C(=C1)C1=CC=CC=C1)OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963946 |