| SpectraBase Compound ID | 3kh5EXlgIrI |
|---|---|
| InChI | InChI=1S/C32H40O5/c1-24(2)21-37-32(34)31-28(18-12-4-7-13-25(3)33)19-29(35-22-26-14-8-5-9-15-26)20-30(31)36-23-27-16-10-6-11-17-27/h5-6,8-11,14-17,19-20,24-25,33H,4,7,12-13,18,21-23H2,1-3H3/t25-/m1/s1 |
| InChIKey | MZEVKIPHMFINCP-RUZDIDTESA-N |
| Mol Weight | 504.7 g/mol |
| Molecular Formula | C32H40O5 |
| Exact Mass | 504.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BmKVSQ8XDwQ |
|---|---|
| Name | Isobutyl (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 | 504.287574383 u |
| Formula | C32H40O5 |
| InChI | InChI=1S/C32H40O5/c1-24(2)21-37-32(34)31-28(18-12-4-7-13-25(3)33)19-29(35-22-26-14-8-5-9-15-26)20-30(31)36-23-27-16-10-6-11-17-27/h5-6,8-11,14-17,19-20,24-25,33H,4,7,12-13,18,21-23H2,1-3H3/t25-/m1/s1 |
| InChIKey | MZEVKIPHMFINCP-RUZDIDTESA-N |
| Molecular Weight | 504.667 g/mol |
| SMILES | C=1(C(=CC(=CC1CCCCC[C@](O)(C)[H])OCC1=CC=CC=C1)OCC=1C=CC=CC1)C(OCC(C)C)=O |