| SpectraBase Compound ID | 3NmRfcD5WNA |
|---|---|
| InChI | InChI=1S/C18H16O3/c19-18-11-9-15-8-10-16(13-17(15)21-18)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2 |
| InChIKey | XVGPLNDYRSPKSX-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 | 9q9T5ALjDI6 |
|---|---|
| Name | 2H-1-Benzopyran-2-one, 7-(3-phenylpropoxy)- |
| 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/c19-18-11-9-15-8-10-16(13-17(15)21-18)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2 |
| InChIKey | XVGPLNDYRSPKSX-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1)CCCOC1=CC=C2C(=C1)OC(C=C2)=O |