| SpectraBase Compound ID | G5CPDBwOPJ1 |
|---|---|
| InChI | InChI=1S/C12H12O2/c1-7-4-8(2)12-9(3)6-11(13)14-10(12)5-7/h4-6H,1-3H3 |
| InChIKey | PUBIEFXQKSKEBE-UHFFFAOYSA-N |
| Mol Weight | 188.23 g/mol |
| Molecular Formula | C12H12O2 |
| Exact Mass | 188.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9ZFyLQXneFz |
|---|---|
| Name | Coumarin, 4,5,7-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.083729624 u |
| Formula | C12H12O2 |
| InChI | InChI=1S/C12H12O2/c1-7-4-8(2)12-9(3)6-11(13)14-10(12)5-7/h4-6H,1-3H3 |
| InChIKey | PUBIEFXQKSKEBE-UHFFFAOYSA-N |
| Molecular Weight | 188.226 g/mol |
| SMILES | C1=2OC(C=C(C2C(=CC(=C1)C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900643 |