| SpectraBase Compound ID | Lt9upLmaLNf |
|---|---|
| InChI | InChI=1S/C22H33ClO4/c1-2-3-4-5-6-7-8-9-10-11-17-26-21(24)19-12-14-20(15-13-19)22(25)27-18-16-23/h12-15H,2-11,16-18H2,1H3 |
| InChIKey | GYNQNEOURTUFHW-UHFFFAOYSA-N |
| Mol Weight | 397.0 g/mol |
| Molecular Formula | C22H33ClO4 |
| Exact Mass | 396.206737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6SwLX6sWf9e |
|---|---|
| Name | Terephthalic acid, 2-chloroethyl dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.206737239 u |
| Formula | C22H33ClO4 |
| InChI | InChI=1S/C22H33ClO4/c1-2-3-4-5-6-7-8-9-10-11-17-26-21(24)19-12-14-20(15-13-19)22(25)27-18-16-23/h12-15H,2-11,16-18H2,1H3 |
| InChIKey | GYNQNEOURTUFHW-UHFFFAOYSA-N |
| Molecular Weight | 396.955 g/mol |
| SMILES | C(CCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCl)CCCC |