| SpectraBase Compound ID | Ivv2Agehqhc |
|---|---|
| InChI | InChI=1S/C24H36O4/c1-3-5-7-8-9-10-11-12-13-14-20-28-24(26)22-17-15-21(16-18-22)23(25)27-19-6-4-2/h4,15-18H,2-3,5-14,19-20H2,1H3 |
| InChIKey | WVRRLDMTDAOCTB-UHFFFAOYSA-N |
| Mol Weight | 388.5 g/mol |
| Molecular Formula | C24H36O4 |
| Exact Mass | 388.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GNNdN2JUMvN |
|---|---|
| Name | Terephthalic acid, but-3-enyl dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.261359635 u |
| Formula | C24H36O4 |
| InChI | InChI=1S/C24H36O4/c1-3-5-7-8-9-10-11-12-13-14-20-28-24(26)22-17-15-21(16-18-22)23(25)27-19-6-4-2/h4,15-18H,2-3,5-14,19-20H2,1H3 |
| InChIKey | WVRRLDMTDAOCTB-UHFFFAOYSA-N |
| Molecular Weight | 388.548 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCCCCCCCCCC)=O)C(OCCC=C)=O |