| SpectraBase Compound ID | FyCrTItCe5N |
|---|---|
| InChI | InChI=1S/C22H33ClO4/c1-2-3-16-26-21(24)19-13-12-14-20(18-19)22(25)27-17-11-9-7-5-4-6-8-10-15-23/h12-14,18H,2-11,15-17H2,1H3 |
| InChIKey | CTHULQCRNLWOBT-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 | 7HMFwb7xY1z |
|---|---|
| Name | Isophthalic acid, butyl 10-chlorodecyl 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/c1-2-3-16-26-21(24)19-13-12-14-20(18-19)22(25)27-17-11-9-7-5-4-6-8-10-15-23/h12-14,18H,2-11,15-17H2,1H3 |
| InChIKey | CTHULQCRNLWOBT-UHFFFAOYSA-N |
| Molecular Weight | 396.955 g/mol |
| SMILES | C1(=CC=CC(=C1)C(=O)OCCCC)C(OCCCCCCCCCCCl)=O |