| SpectraBase Compound ID | JjMFmaZBkZW |
|---|---|
| InChI | InChI=1S/C30H36O5/c1-3-33-30(32)29-26(18-12-4-7-13-23(2)31)19-27(34-21-24-14-8-5-9-15-24)20-28(29)35-22-25-16-10-6-11-17-25/h5-6,8-11,14-17,19-20,23,31H,3-4,7,12-13,18,21-22H2,1-2H3/t23-/m1/s1 |
| InChIKey | MYUJGPNEMZKLOF-HSZRJFAPSA-N |
| Mol Weight | 476.6 g/mol |
| Molecular Formula | C30H36O5 |
| Exact Mass | 476.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ck3u7Y1cNX |
|---|---|
| Name | Ethyl (R)-2,4-dibenzyloxy-6-(6-hydroxyheptyl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 476.256274254 u |
| Formula | C30H36O5 |
| InChI | InChI=1S/C30H36O5/c1-3-33-30(32)29-26(18-12-4-7-13-23(2)31)19-27(34-21-24-14-8-5-9-15-24)20-28(29)35-22-25-16-10-6-11-17-25/h5-6,8-11,14-17,19-20,23,31H,3-4,7,12-13,18,21-22H2,1-2H3/t23-/m1/s1 |
| InChIKey | MYUJGPNEMZKLOF-HSZRJFAPSA-N |
| Molecular Weight | 476.613 g/mol |
| SMILES | C=1(C(=CC(=CC1CCCCC[C@](O)(C)[H])OCC=1C=CC=CC1)OCC=1C=CC=CC1)C(=O)OCC |