| SpectraBase Compound ID | 2rSVFcAPef5 |
|---|---|
| InChI | InChI=1S/C18H28O5/c1-5-23-18(20)17-14(10-8-6-7-9-13(2)19)11-15(21-3)12-16(17)22-4/h11-13,19H,5-10H2,1-4H3/t13-/m1/s1 |
| InChIKey | TZXAGWFEKZXPOJ-CYBMUJFWSA-N |
| Mol Weight | 324.42 g/mol |
| Molecular Formula | C18H28O5 |
| Exact Mass | 324.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CibAN3KZ55Z |
|---|---|
| Name | Ethyl (R)-2,4-dimethoxy-6-(6-hydroxyheptyl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.193673997 u |
| Formula | C18H28O5 |
| InChI | InChI=1S/C18H28O5/c1-5-23-18(20)17-14(10-8-6-7-9-13(2)19)11-15(21-3)12-16(17)22-4/h11-13,19H,5-10H2,1-4H3/t13-/m1/s1 |
| InChIKey | TZXAGWFEKZXPOJ-CYBMUJFWSA-N |
| Molecular Weight | 324.417 g/mol |
| SMILES | C=1(C(=CC(=CC1CCCCC[C@](O)(C)[H])OC)OC)C(=O)OCC |