| SpectraBase Compound ID | DGtKujpEJFb |
|---|---|
| InChI | InChI=1S/C18H18O6/c1-20-12-6-4-9-11-8-23-17-10(15(11)24-16(9)14(12)19)5-7-13(21-2)18(17)22-3/h4-7,11,15,19H,8H2,1-3H3/t11-,15-/m0/s1 |
| InChIKey | YVRAOSSDJCUVDM-NHYWBVRUSA-N |
| Mol Weight | 330.34 g/mol |
| Molecular Formula | C18H18O6 |
| Exact Mass | 330.110338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H8dngV7v8O7 |
|---|---|
| Name | (-)-odoricarpan |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.110338294 u |
| Formula | C18H18O6 |
| InChI | InChI=1S/C18H18O6/c1-20-12-6-4-9-11-8-23-17-10(15(11)24-16(9)14(12)19)5-7-13(21-2)18(17)22-3/h4-7,11,15,19H,8H2,1-3H3/t11-,15-/m0/s1 |
| InChIKey | YVRAOSSDJCUVDM-NHYWBVRUSA-N |
| Molecular Weight | 330.336 g/mol |
| SMILES | [C@@]12(OC=3C(=C(OC)C=CC3[C@@]2(COC2=C1C=CC(OC)=C2OC)[H])O)[H] |