| SpectraBase Compound ID | 6WzlMzleXKD |
|---|---|
| InChI | InChI=1S/C21H26O4/c1-2-3-4-5-6-7-16-24-19-12-8-17(9-13-19)21(23)25-20-14-10-18(22)11-15-20/h8-15,22H,2-7,16H2,1H3 |
| InChIKey | FHUHFVNAIUSDKB-UHFFFAOYSA-N |
| Mol Weight | 342.44 g/mol |
| Molecular Formula | C21H26O4 |
| Exact Mass | 342.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5UbbLyNGQ0D |
|---|---|
| Name | 4-Octyloxy-benzoic acid, 4-hydroxy-phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.183109313 u |
| Formula | C21H26O4 |
| InChI | InChI=1S/C21H26O4/c1-2-3-4-5-6-7-16-24-19-12-8-17(9-13-19)21(23)25-20-14-10-18(22)11-15-20/h8-15,22H,2-7,16H2,1H3 |
| InChIKey | FHUHFVNAIUSDKB-UHFFFAOYSA-N |
| Molecular Weight | 342.435 g/mol |
| SMILES | C(OC1=CC=C(C=C1)O)(C1=CC=C(C=C1)OCCCCCCCC)=O |