| SpectraBase Compound ID | 4McbeNpGngo |
|---|---|
| InChI | InChI=1S/C29H55ClO4/c1-2-3-4-5-6-7-8-9-10-11-13-16-21-26-33-28(31)23-18-19-24-29(32)34-27-22-17-14-12-15-20-25-30/h2-27H2,1H3 |
| InChIKey | CXSPMWHMFPVBNF-UHFFFAOYSA-N |
| Mol Weight | 503.2 g/mol |
| Molecular Formula | C29H55ClO4 |
| Exact Mass | 502.378888 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EfbxPdTnRjg |
|---|---|
| Name | Adipic acid, 8-chloroctyl pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 502.378887947 u |
| Formula | C29H55ClO4 |
| InChI | InChI=1S/C29H55ClO4/c1-2-3-4-5-6-7-8-9-10-11-13-16-21-26-33-28(31)23-18-19-24-29(32)34-27-22-17-14-12-15-20-25-30/h2-27H2,1H3 |
| InChIKey | CXSPMWHMFPVBNF-UHFFFAOYSA-N |
| Molecular Weight | 503.208 g/mol |
| SMILES | C(OCCCCCCCCCl)(CCCCC(OCCCCCCCCCCCCCCC)=O)=O |