| SpectraBase Compound ID | BP7vGI9fZZM |
|---|---|
| InChI | InChI=1S/C14H16O3/c1-9(2)8-16-11-4-5-13-12(7-11)10(3)6-14(15)17-13/h4-7,9H,8H2,1-3H3 |
| InChIKey | VSVTZKNHHAPERJ-UHFFFAOYSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C14H16O3 |
| Exact Mass | 232.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 53hOshIYuhN |
|---|---|
| Name | 6-(2-Methylpropyl)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/c1-9(2)8-16-11-4-5-13-12(7-11)10(3)6-14(15)17-13/h4-7,9H,8H2,1-3H3 |
| InChIKey | VSVTZKNHHAPERJ-UHFFFAOYSA-N |
| Molecular Weight | 232.279 g/mol |
| SMILES | C1=C(C=C2C(=C1)OC(=O)C=C2C)OCC(C)C |