| SpectraBase Compound ID | IloiNm8PCqR |
|---|---|
| InChI | InChI=1S/C23H38O3/c1-4-6-8-9-10-11-12-13-17-20(16-7-5-2)26-23(24)21-18-14-15-19-22(21)25-3/h14-15,18-20H,4-13,16-17H2,1-3H3 |
| InChIKey | MDAOWBJBOINKFW-UHFFFAOYSA-N |
| Mol Weight | 362.6 g/mol |
| Molecular Formula | C23H38O3 |
| Exact Mass | 362.282095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jey54WyitYm |
|---|---|
| Name | o-Anisic acid, 5-pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.282095081 u |
| Formula | C23H38O3 |
| InChI | InChI=1S/C23H38O3/c1-4-6-8-9-10-11-12-13-17-20(16-7-5-2)26-23(24)21-18-14-15-19-22(21)25-3/h14-15,18-20H,4-13,16-17H2,1-3H3 |
| InChIKey | MDAOWBJBOINKFW-UHFFFAOYSA-N |
| Molecular Weight | 362.554 g/mol |
| SMILES | C1=CC=C(C(=C1)C(OC(CCCCCCCCCC)CCCC)=O)OC |