| SpectraBase Compound ID | HXgkF8b88m2 |
|---|---|
| InChI | InChI=1S/C14H16O3/c1-10(2)7-8-16-12-5-3-11-4-6-14(15)17-13(11)9-12/h3-6,9-10H,7-8H2,1-2H3 |
| InChIKey | MIERKMYAZQXRBE-UHFFFAOYSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C14H16O3 |
| Exact Mass | 232.109944 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 | 3bGZJKeMVsD |
|---|---|
| Name | 7-(3-Methylbutyl)oxycoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.109944372 u |
| Formula | C14H16O3 |
| InChI | InChI=1S/C14H16O3/c1-10(2)7-8-16-12-5-3-11-4-6-14(15)17-13(11)9-12/h3-6,9-10H,7-8H2,1-2H3 |
| InChIKey | MIERKMYAZQXRBE-UHFFFAOYSA-N |
| Molecular Weight | 232.279 g/mol |
| SMILES | C1(=CC=C2C(=C1)OC(=O)C=C2)OCCC(C)C |