| SpectraBase Compound ID | HfFiXssnHWU |
|---|---|
| InChI | InChI=1S/C33H42O5/c1-26(34)16-10-6-4-3-5-7-15-21-29-22-30(37-24-27-17-11-8-12-18-27)23-31(32(29)33(35)36-2)38-25-28-19-13-9-14-20-28/h8-9,11-14,17-20,22-23,26,34H,3-7,10,15-16,21,24-25H2,1-2H3 |
| InChIKey | HFMIMNCFRHVMOR-UHFFFAOYSA-N |
| Mol Weight | 518.7 g/mol |
| Molecular Formula | C33H42O5 |
| Exact Mass | 518.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DVuZoIKJVkz |
|---|---|
| Name | 2,4-Dibenzoxy-6-(10-hydroxyundecyl)benzoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 518.303224447 u |
| Formula | C33H42O5 |
| InChI | InChI=1S/C33H42O5/c1-26(34)16-10-6-4-3-5-7-15-21-29-22-30(37-24-27-17-11-8-12-18-27)23-31(32(29)33(35)36-2)38-25-28-19-13-9-14-20-28/h8-9,11-14,17-20,22-23,26,34H,3-7,10,15-16,21,24-25H2,1-2H3 |
| InChIKey | HFMIMNCFRHVMOR-UHFFFAOYSA-N |
| Molecular Weight | 518.694 g/mol |
| SMILES | C=1(C(=CC(=CC1CCCCCCCCCC(O)C)OCC=1C=CC=CC1)OCC=1C=CC=CC1)C(=O)OC |