| SpectraBase Compound ID | JcteQdEdvrV |
|---|---|
| InChI | InChI=1S/C23H35ClO4/c1-2-3-4-8-11-17-27-22(25)20-14-13-15-21(19-20)23(26)28-18-12-9-6-5-7-10-16-24/h13-15,19H,2-12,16-18H2,1H3 |
| InChIKey | JVYHSDDLTVVGCE-UHFFFAOYSA-N |
| Mol Weight | 411.0 g/mol |
| Molecular Formula | C23H35ClO4 |
| Exact Mass | 410.222387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6arlxIFVeoa |
|---|---|
| Name | Isophthalic acid, 8-chloroctyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.222387303 u |
| Formula | C23H35ClO4 |
| InChI | InChI=1S/C23H35ClO4/c1-2-3-4-8-11-17-27-22(25)20-14-13-15-21(19-20)23(26)28-18-12-9-6-5-7-10-16-24/h13-15,19H,2-12,16-18H2,1H3 |
| InChIKey | JVYHSDDLTVVGCE-UHFFFAOYSA-N |
| Molecular Weight | 410.982 g/mol |
| SMILES | C1=CC(=CC(=C1)C(=O)OCCCCCCC)C(OCCCCCCCCCl)=O |