| SpectraBase Compound ID | KPaHnk9rhaI |
|---|---|
| InChI | InChI=1S/C17H22O3/c1-4-5-6-7-8-13-10-14-12(2)9-17(18)20-16(14)11-15(13)19-3/h9-11H,4-8H2,1-3H3 |
| InChIKey | PXKRJEMYISDYHC-UHFFFAOYSA-N |
| Mol Weight | 274.36 g/mol |
| Molecular Formula | C17H22O3 |
| Exact Mass | 274.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C8y3RN9GT4O |
|---|---|
| Name | 6-Hexyl-7-methoxy-4-methylcoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.156894565 u |
| Formula | C17H22O3 |
| InChI | InChI=1S/C17H22O3/c1-4-5-6-7-8-13-10-14-12(2)9-17(18)20-16(14)11-15(13)19-3/h9-11H,4-8H2,1-3H3 |
| InChIKey | PXKRJEMYISDYHC-UHFFFAOYSA-N |
| Molecular Weight | 274.360 g/mol |
| SMILES | C=12C=C(C(=CC1C(=CC(O2)=O)C)CCCCCC)OC |