| SpectraBase Compound ID | 1Tv7dnT8At1 |
|---|---|
| InChI | InChI=1S/C26H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-23-28-26(27)25-21-19-24(20-22-25)18-6-4-2/h19-22H,3-18,23H2,1-2H3 |
| InChIKey | BHJAAVUAXRALDM-UHFFFAOYSA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C26H44O2 |
| Exact Mass | 388.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ErcXn5x2NYM |
|---|---|
| Name | 4-Butylbenzoic acid, pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.334130655 u |
| Formula | C26H44O2 |
| InChI | InChI=1S/C26H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-23-28-26(27)25-21-19-24(20-22-25)18-6-4-2/h19-22H,3-18,23H2,1-2H3 |
| InChIKey | BHJAAVUAXRALDM-UHFFFAOYSA-N |
| Molecular Weight | 388.636 g/mol |
| SMILES | C(=O)(OCCCCCCCCCCCCCCC)C1=CC=C(CCCC)C=C1 |