| SpectraBase Compound ID | LJbqnk71WVm |
|---|---|
| InChI | InChI=1S/C30H57ClO4/c1-2-3-4-5-6-12-17-22-27-34-29(32)24-19-14-9-10-15-20-25-30(33)35-28-23-18-13-8-7-11-16-21-26-31/h2-28H2,1H3 |
| InChIKey | GMZOTCPHRNUTSE-UHFFFAOYSA-N |
| Mol Weight | 517.2 g/mol |
| Molecular Formula | C30H57ClO4 |
| Exact Mass | 516.394538 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CX2mMWTmeQu |
|---|---|
| Name | Sebacic acid, 10-chlorodecyl decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 516.394538011 u |
| Formula | C30H57ClO4 |
| InChI | InChI=1S/C30H57ClO4/c1-2-3-4-5-6-12-17-22-27-34-29(32)24-19-14-9-10-15-20-25-30(33)35-28-23-18-13-8-7-11-16-21-26-31/h2-28H2,1H3 |
| InChIKey | GMZOTCPHRNUTSE-UHFFFAOYSA-N |
| Molecular Weight | 517.235 g/mol |
| SMILES | C(CCC(OCCCCCCCCCCCl)=O)CCCCCC(OCCCCCCCCCC)=O |