| SpectraBase Compound ID | JcIst5c969F |
|---|---|
| InChI | InChI=1S/C18H18O6/c1-20-12-6-5-10-15-11(8-23-16(10)14(12)19)9-4-7-13(21-2)18(22-3)17(9)24-15/h4-7,11,15,19H,8H2,1-3H3 |
| InChIKey | ITMVICNONDPRSU-UHFFFAOYSA-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 | D3uFea3z6sx |
|---|---|
| Name | (-)-melilotocarpan C |
| 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/c1-20-12-6-5-10-15-11(8-23-16(10)14(12)19)9-4-7-13(21-2)18(22-3)17(9)24-15/h4-7,11,15,19H,8H2,1-3H3 |
| InChIKey | ITMVICNONDPRSU-UHFFFAOYSA-N |
| Molecular Weight | 330.336 g/mol |
| SMILES | C12OC3=C(C(OC)=CC=C3C2COC2=C1C=CC(OC)=C2O)OC |