| SpectraBase Compound ID | 7suyvnH1YRC |
|---|---|
| InChI | InChI=1S/C13H14O3/c1-2-3-8-15-11-6-4-10-5-7-13(14)16-12(10)9-11/h4-7,9H,2-3,8H2,1H3 |
| InChIKey | BDOGTORASJEUBW-UHFFFAOYSA-N |
| Mol Weight | 218.25 g/mol |
| Molecular Formula | C13H14O3 |
| Exact Mass | 218.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EUXOyzFlcDj |
|---|---|
| Name | 7-(N-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/c1-2-3-8-15-11-6-4-10-5-7-13(14)16-12(10)9-11/h4-7,9H,2-3,8H2,1H3 |
| InChIKey | BDOGTORASJEUBW-UHFFFAOYSA-N |
| Molecular Weight | 218.252 g/mol |
| SMILES | C1(=CC=C2C(=C1)OC(=O)C=C2)OCCCC |