| SpectraBase Compound ID | 1jBOQgS9GQT |
|---|---|
| InChI | InChI=1S/C13H14O3/c1-3-9(2)15-11-6-4-10-5-7-13(14)16-12(10)8-11/h4-9H,3H2,1-2H3 |
| InChIKey | AIKBXVHFVKVZKY-UHFFFAOYSA-N |
| Mol Weight | 218.25 g/mol |
| Molecular Formula | C13H14O3 |
| Exact Mass | 218.094294 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 | 33OfK4TtFfQ |
|---|---|
| Name | 7-(2-Butyl)oxycoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.094294308 u |
| Formula | C13H14O3 |
| InChI | InChI=1S/C13H14O3/c1-3-9(2)15-11-6-4-10-5-7-13(14)16-12(10)8-11/h4-9H,3H2,1-2H3 |
| InChIKey | AIKBXVHFVKVZKY-UHFFFAOYSA-N |
| Molecular Weight | 218.252 g/mol |
| SMILES | C1(=CC=C2C(=C1)OC(=O)C=C2)OC(CC)C |