| SpectraBase Compound ID | JVXZP2kCi7H |
|---|---|
| InChI | InChI=1S/C28H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-30-28(29)27-23-21-26(20-4-2)22-24-27/h21-24H,3-20,25H2,1-2H3 |
| InChIKey | UQRXHEITCLHTAO-UHFFFAOYSA-N |
| Mol Weight | 416.7 g/mol |
| Molecular Formula | C28H48O2 |
| Exact Mass | 416.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IcYVUZs38bT |
|---|---|
| Name | Benzoic acid, 4-propyl-, octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.365430784 u |
| Formula | C28H48O2 |
| InChI | InChI=1S/C28H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-30-28(29)27-23-21-26(20-4-2)22-24-27/h21-24H,3-20,25H2,1-2H3 |
| InChIKey | UQRXHEITCLHTAO-UHFFFAOYSA-N |
| Molecular Weight | 416.690 g/mol |
| SMILES | C(OCCCCCCCCCCCCCCCCCC)(=O)C1=CC=C(CCC)C=C1 |