| SpectraBase Compound ID | B78Fh0gicz |
|---|---|
| InChI | InChI=1S/C22H33ClO4/c1-2-3-4-13-18-26-21(24)16-9-7-5-6-8-10-17-22(25)27-20-15-12-11-14-19(20)23/h11-12,14-15H,2-10,13,16-18H2,1H3 |
| InChIKey | CSKGWFNYQZXJBY-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 | EyN8upNwGUs |
|---|---|
| Name | Sebacic acid, 2-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/c1-2-3-4-13-18-26-21(24)16-9-7-5-6-8-10-17-22(25)27-20-15-12-11-14-19(20)23/h11-12,14-15H,2-10,13,16-18H2,1H3 |
| InChIKey | CSKGWFNYQZXJBY-UHFFFAOYSA-N |
| Molecular Weight | 396.955 g/mol |
| SMILES | C(CCCCCCCC(OC1=CC=CC=C1Cl)=O)C(OCCCCCC)=O |