| SpectraBase Compound ID | Ld6pv1wadL6 |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-3-5-10-8-9-6-4-7-11(15-2)12(9)13(14)16-10/h4,6-7,10H,3,5,8H2,1-2H3 |
| InChIKey | XVDCEXFLTPHOEH-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8fHGwCfj7Nn |
|---|---|
| Name | (+-)-8-methoxy-3-propyl-3,4-dihydro-1H-2-benzopyran-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-3-5-10-8-9-6-4-7-11(15-2)12(9)13(14)16-10/h4,6-7,10H,3,5,8H2,1-2H3 |
| InChIKey | XVDCEXFLTPHOEH-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C1(C=2C(=CC=CC2OC)CC(O1)CCC)=O |