| SpectraBase Compound ID | 8bYVPnzFKVj |
|---|---|
| InChI | InChI=1S/C14H16O3/c1-4-10(3)16-11-5-6-13-12(8-11)9(2)7-14(15)17-13/h5-8,10H,4H2,1-3H3 |
| InChIKey | MKSXINMYMSFQNL-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 | AehHUepwM8G |
|---|---|
| Name | 6-(2-Butyl)oxy-4-methylcoumarin |
| 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/c1-4-10(3)16-11-5-6-13-12(8-11)9(2)7-14(15)17-13/h5-8,10H,4H2,1-3H3 |
| InChIKey | MKSXINMYMSFQNL-UHFFFAOYSA-N |
| Molecular Weight | 232.279 g/mol |
| SMILES | C1=C(C=C2C(=C1)OC(=O)C=C2C)OC(CC)C |