| SpectraBase Compound ID | 5qVdhQAbFO1 |
|---|---|
| InChI | InChI=1S/C25H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-25(26)23-18-20-24(27-2)21-19-23/h18-21H,3-17,22H2,1-2H3 |
| InChIKey | LNFOOKZBMMGPBM-UHFFFAOYSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C25H42O3 |
| Exact Mass | 390.313395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KM8plfUdMyn |
|---|---|
| Name | p-Anisic acid, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.313395209 u |
| Formula | C25H42O3 |
| InChI | InChI=1S/C25H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-25(26)23-18-20-24(27-2)21-19-23/h18-21H,3-17,22H2,1-2H3 |
| InChIKey | LNFOOKZBMMGPBM-UHFFFAOYSA-N |
| Molecular Weight | 390.608 g/mol |
| SMILES | C(OCCCCCCCCCCCCCCCCC)(=O)C1=CC=C(OC)C=C1 |