| SpectraBase Compound ID | FlX96SaIcLK |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-5-6-7-8-9-13-11-14-12(2)10-15(19)22-17(14)18(21-4)16(13)20-3/h10-11H,5-9H2,1-4H3 |
| InChIKey | OSBHNITWWSWMQH-UHFFFAOYSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CZvR6uTfJ39 |
|---|---|
| Name | 6-Hexyl-7,8-dimethoxy-4-methylcoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c1-5-6-7-8-9-13-11-14-12(2)10-15(19)22-17(14)18(21-4)16(13)20-3/h10-11H,5-9H2,1-4H3 |
| InChIKey | OSBHNITWWSWMQH-UHFFFAOYSA-N |
| SMILES | C=12C(=C(C(=CC1C(=CC(O2)=O)C)CCCCCC)OC)OC |
| Spectrum/Structure Validation Score (Raman) | 0.806654 |