| SpectraBase Compound ID | 5teDig7zVbk |
|---|---|
| InChI | InChI=1S/C18H16O3/c1-12-3-5-14(6-4-12)11-20-15-7-8-16-13(2)9-18(19)21-17(16)10-15/h3-10H,11H2,1-2H3 |
| InChIKey | WARYTMCPNCACHA-UHFFFAOYSA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C18H16O3 |
| Exact Mass | 280.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9stSwF6siCV |
|---|---|
| Name | 4-Methyl-7-(4-methylbenzyl)oxy-coumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.109944372 u |
| Formula | C18H16O3 |
| InChI | InChI=1S/C18H16O3/c1-12-3-5-14(6-4-12)11-20-15-7-8-16-13(2)9-18(19)21-17(16)10-15/h3-10H,11H2,1-2H3 |
| InChIKey | WARYTMCPNCACHA-UHFFFAOYSA-N |
| SMILES | C1(OC=2C=C(C=CC2C(=C1)C)OCC=1C=CC(=CC1)C)=O |