| SpectraBase Compound ID | 75JVzOzuX88 |
|---|---|
| InChI | InChI=1S/C28H32O5/c1-3-5-7-13-22-16-24(32-19-20-11-8-6-9-12-20)18-26(30)27(22)28(31)33-25-15-21(10-4-2)14-23(29)17-25/h6,8-9,11-12,14-18,29-30H,3-5,7,10,13,19H2,1-2H3 |
| InChIKey | CSDCXWROGVRJOC-UHFFFAOYSA-N |
| Mol Weight | 448.6 g/mol |
| Molecular Formula | C28H32O5 |
| Exact Mass | 448.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bsc1D8lpZJb |
|---|---|
| Name | 3'-Hydroxy-5'-propylphenyl 4-benzyloxy-2-hydroxy-6-pentylbenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 448.224974125 u |
| Formula | C28H32O5 |
| InChI | InChI=1S/C28H32O5/c1-3-5-7-13-22-16-24(32-19-20-11-8-6-9-12-20)18-26(30)27(22)28(31)33-25-15-21(10-4-2)14-23(29)17-25/h6,8-9,11-12,14-18,29-30H,3-5,7,10,13,19H2,1-2H3 |
| InChIKey | CSDCXWROGVRJOC-UHFFFAOYSA-N |
| Molecular Weight | 448.559 g/mol |
| SMILES | C=1(C(OC=2C=C(O)C=C(C2)CCC)=O)C(=CC(=CC1CCCCC)OCC=1C=CC=CC1)O |