| SpectraBase Compound ID | zwmgigpMaY |
|---|---|
| InChI | InChI=1S/C15H18O3/c1-2-3-4-5-9-12-14(16)11-8-6-7-10-13(11)18-15(12)17/h6-8,10,16H,2-5,9H2,1H3 |
| InChIKey | JTEHDKFRWHISDV-UHFFFAOYSA-N |
| Mol Weight | 246.31 g/mol |
| Molecular Formula | C15H18O3 |
| Exact Mass | 246.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | E5YqoO0tGD4 |
|---|---|
| Name | 3-Hexyl-4-hydroxycoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.125594437 u |
| Formula | C15H18O3 |
| InChI | InChI=1S/C15H18O3/c1-2-3-4-5-9-12-14(16)11-8-6-7-10-13(11)18-15(12)17/h6-8,10,16H,2-5,9H2,1H3 |
| InChIKey | JTEHDKFRWHISDV-UHFFFAOYSA-N |
| Molecular Weight | 246.306 g/mol |
| SMILES | OC1=C(C(OC=2C=CC=CC12)=O)CCCCCC |