| SpectraBase Compound ID | 6jFsxhUmkaA |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-3-5-7-8-9-10-11-17-25-21(23)19-14-12-18(13-15-19)20(22)24-16-6-4-2/h4,6,12-15H,3,5,7-11,16-17H2,1-2H3/b6-4+ |
| InChIKey | NPZVGLDVSFYCIU-GQCTYLIASA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8sHWv57rOd7 |
|---|---|
| Name | Terephthalic acid, but-2-enyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.214409442 u |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-3-5-7-8-9-10-11-17-25-21(23)19-14-12-18(13-15-19)20(22)24-16-6-4-2/h4,6,12-15H,3,5,7-11,16-17H2,1-2H3/b6-4+ |
| InChIKey | NPZVGLDVSFYCIU-GQCTYLIASA-N |
| Molecular Weight | 346.467 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCCCCCCC)=O)C(OC\C=C\C)=O |