| SpectraBase Compound ID | EcXM3shlcpj |
|---|---|
| InChI | InChI=1S/C24H40O2/c1-4-6-8-9-10-11-12-13-14-15-21(3)26-24(25)23-19-17-22(18-20-23)16-7-5-2/h17-21H,4-16H2,1-3H3 |
| InChIKey | SIKOUVHMDJVUAZ-UHFFFAOYSA-N |
| Mol Weight | 360.6 g/mol |
| Molecular Formula | C24H40O2 |
| Exact Mass | 360.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1BEovQI1FPU |
|---|---|
| Name | 4-Butylbenzoic acid, 2-tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.302830526 u |
| Formula | C24H40O2 |
| InChI | InChI=1S/C24H40O2/c1-4-6-8-9-10-11-12-13-14-15-21(3)26-24(25)23-19-17-22(18-20-23)16-7-5-2/h17-21H,4-16H2,1-3H3 |
| InChIKey | SIKOUVHMDJVUAZ-UHFFFAOYSA-N |
| Molecular Weight | 360.582 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OC(CCCCCCCCCCC)C)=O)CCCC |