| SpectraBase Compound ID | Ae03lBjUB9K |
|---|---|
| InChI | InChI=1S/C20H29ClO4/c1-2-3-4-8-14-24-19(22)17-11-10-12-18(16-17)20(23)25-15-9-6-5-7-13-21/h10-12,16H,2-9,13-15H2,1H3 |
| InChIKey | SYLSQJRESZUAGM-UHFFFAOYSA-N |
| Mol Weight | 368.9 g/mol |
| Molecular Formula | C20H29ClO4 |
| Exact Mass | 368.175437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | NQb9e0XznC |
|---|---|
| Name | Isophthalic acid, 6-chlorohexyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.175437110 u |
| Formula | C20H29ClO4 |
| InChI | InChI=1S/C20H29ClO4/c1-2-3-4-8-14-24-19(22)17-11-10-12-18(16-17)20(23)25-15-9-6-5-7-13-21/h10-12,16H,2-9,13-15H2,1H3 |
| InChIKey | SYLSQJRESZUAGM-UHFFFAOYSA-N |
| Molecular Weight | 368.901 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(OCCCCCCCl)=O)(OCCCCCC)=O |