| SpectraBase Compound ID | 5cq1tKeG3OR |
|---|---|
| InChI | InChI=1S/C17H24O5/c1-5-6-7-8-9-12(2)22-17(19)16-14(18)10-13(20-3)11-15(16)21-4/h5,10-12,18H,1,6-9H2,2-4H3/t12-/m1/s1 |
| InChIKey | CNKQQJSHTKBUKH-GFCCVEGCSA-N |
| Mol Weight | 308.37 g/mol |
| Molecular Formula | C17H24O5 |
| Exact Mass | 308.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 97gC9NDQoH5 |
|---|---|
| Name | (R)-(-)-4,6-dimethoxy-2-hydroxybenzoic acid 1-methyl-hept-6-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.162373868 u |
| Formula | C17H24O5 |
| InChI | InChI=1S/C17H24O5/c1-5-6-7-8-9-12(2)22-17(19)16-14(18)10-13(20-3)11-15(16)21-4/h5,10-12,18H,1,6-9H2,2-4H3/t12-/m1/s1 |
| InChIKey | CNKQQJSHTKBUKH-GFCCVEGCSA-N |
| SMILES | C1(C(O[C@@](CCCCC=C)(C)[H])=O)=C(C=C(C=C1OC)OC)O |