| SpectraBase Compound ID | EYafIcpWJkA |
|---|---|
| InChI | InChI=1S/C33H40O4/c1-24-16-21-29(32(2,3)26-12-6-4-7-13-26)30(23-24)37-31(35)33(36,27-14-8-5-9-15-27)28-19-17-25(18-20-28)11-10-22-34/h4-9,12-15,17-20,24,29-30,34,36H,10-11,16,21-23H2,1-3H3 |
| InChIKey | OSNFVNLDPGGQJJ-UHFFFAOYSA-N |
| Mol Weight | 500.7 g/mol |
| Molecular Formula | C33H40O4 |
| Exact Mass | 500.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ETvBQj2rlOs |
|---|---|
| Name | 2-Hydroxy-2-phenyl-2-(3-hydroxypropyl)phenylacetic acid, 3-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 500.292659764 u |
| Formula | C33H40O4 |
| InChI | InChI=1S/C33H40O4/c1-24-16-21-29(32(2,3)26-12-6-4-7-13-26)30(23-24)37-31(35)33(36,27-14-8-5-9-15-27)28-19-17-25(18-20-28)11-10-22-34/h4-9,12-15,17-20,24,29-30,34,36H,10-11,16,21-23H2,1-3H3 |
| InChIKey | OSNFVNLDPGGQJJ-UHFFFAOYSA-N |
| Molecular Weight | 500.679 g/mol |
| SMILES | C1=CC(=CC=C1CCCO)C(C(OC1CC(CCC1C(C)(C)C1=CC=CC=C1)C)=O)(O)C1=CC=CC=C1 |