| SpectraBase Compound ID | D8c2iSJBemO |
|---|---|
| InChI | InChI=1S/C26H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-28-26(27)23-19-22-25-20-16-15-17-21-25/h15-17,20-21H,2-14,18-19,22-24H2,1H3 |
| InChIKey | SIDYMXXEJWQZKY-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 | LIVrdVnoVOK |
|---|---|
| Name | Butyric acid, 4-phenyl-, hexadecyl 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-28-26(27)23-19-22-25-20-16-15-17-21-25/h15-17,20-21H,2-14,18-19,22-24H2,1H3 |
| InChIKey | SIDYMXXEJWQZKY-UHFFFAOYSA-N |
| Molecular Weight | 388.636 g/mol |
| SMILES | C(CCCC=1C=CC=CC1)(OCCCCCCCCCCCCCCCC)=O |