| SpectraBase Compound ID | B7SjxKtv2KR |
|---|---|
| InChI | InChI=1S/C22H32O4/c1-3-5-7-8-9-10-11-12-18-26-22(24)20-15-13-19(14-16-20)21(23)25-17-6-4-2/h4,6,13-16H,3,5,7-12,17-18H2,1-2H3/b6-4+ |
| InChIKey | CNJXMCDBHDDDBD-GQCTYLIASA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C22H32O4 |
| Exact Mass | 360.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IuZDiSy4JM1 |
|---|---|
| Name | Terephthalic acid, but-2-enyl decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.230059506 u |
| Formula | C22H32O4 |
| InChI | InChI=1S/C22H32O4/c1-3-5-7-8-9-10-11-12-18-26-22(24)20-15-13-19(14-16-20)21(23)25-17-6-4-2/h4,6,13-16H,3,5,7-12,17-18H2,1-2H3/b6-4+ |
| InChIKey | CNJXMCDBHDDDBD-GQCTYLIASA-N |
| Molecular Weight | 360.494 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCCCCCCCC)=O)C(OC\C=C\C)=O |