| SpectraBase Compound ID | JWeBjyRelHo |
|---|---|
| InChI | InChI=1S/C22H33ClO4/c1-2-3-4-11-18-26-21(24)12-9-7-5-6-8-10-13-22(25)27-20-16-14-19(23)15-17-20/h14-17H,2-13,18H2,1H3 |
| InChIKey | CRZPBUUCKOQHSL-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 | 4fqORV4hwxa |
|---|---|
| Name | Sebacic acid, 4-chlorophenyl hexyl 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/c1-2-3-4-11-18-26-21(24)12-9-7-5-6-8-10-13-22(25)27-20-16-14-19(23)15-17-20/h14-17H,2-13,18H2,1H3 |
| InChIKey | CRZPBUUCKOQHSL-UHFFFAOYSA-N |
| Molecular Weight | 396.955 g/mol |
| SMILES | C(CCCCCCCC(OC1=CC=C(C=C1)Cl)=O)C(OCCCCCC)=O |