| SpectraBase Compound ID | LGiHyHqlL7f |
|---|---|
| InChI | InChI=1S/C19H22O3/c1-13(2)7-6-8-14(3)11-12-16-18(20)15-9-4-5-10-17(15)22-19(16)21/h4-5,7,9-11,20H,6,8,12H2,1-3H3/b14-11- |
| InChIKey | QEPKIEXHEXMTEU-KAMYIIQDSA-N |
| Mol Weight | 298.38 g/mol |
| Molecular Formula | C19H22O3 |
| Exact Mass | 298.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GqavpWMLFpA |
|---|---|
| Name | 3-Neryl-4-hydroxycoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.156894565 u |
| Formula | C19H22O3 |
| InChI | InChI=1S/C19H22O3/c1-13(2)7-6-8-14(3)11-12-16-18(20)15-9-4-5-10-17(15)22-19(16)21/h4-5,7,9-11,20H,6,8,12H2,1-3H3/b14-11- |
| InChIKey | QEPKIEXHEXMTEU-KAMYIIQDSA-N |
| SMILES | C1(=C(C=2C=CC=CC2OC1=O)O)C\C=C/(CCC=C(C)C)C |