| SpectraBase Compound ID | 14VP7s0fW4d |
|---|---|
| InChI | InChI=1S/C13H14O4/c1-8(2)16-12-7-13(14)17-11-6-9(15-3)4-5-10(11)12/h4-8H,1-3H3 |
| InChIKey | MRHIXHCKPMYWJT-UHFFFAOYSA-N |
| Mol Weight | 234.25 g/mol |
| Molecular Formula | C13H14O4 |
| Exact Mass | 234.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Evj02OBGUpY |
|---|---|
| Name | 4-(2-Propyl)oxy-7-methoxycoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.089208927 u |
| Formula | C13H14O4 |
| InChI | InChI=1S/C13H14O4/c1-8(2)16-12-7-13(14)17-11-6-9(15-3)4-5-10(11)12/h4-8H,1-3H3 |
| InChIKey | MRHIXHCKPMYWJT-UHFFFAOYSA-N |
| Molecular Weight | 234.251 g/mol |
| SMILES | C1(=CC=C2C(=C1)OC(=O)C=C2OC(C)C)OC |