| SpectraBase Compound ID | 9sl1IfxGvtP |
|---|---|
| InChI | InChI=1S/C28H53ClO4/c1-2-3-4-5-6-7-8-9-10-12-15-20-25-32-27(30)22-17-18-23-28(31)33-26-21-16-13-11-14-19-24-29/h2-26H2,1H3 |
| InChIKey | NECYQUIQLJYGQL-UHFFFAOYSA-N |
| Mol Weight | 489.2 g/mol |
| Molecular Formula | C28H53ClO4 |
| Exact Mass | 488.363238 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9s1Uth5hU6V |
|---|---|
| Name | Adipic acid, 8-chloroctyl tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 488.363237883 u |
| Formula | C28H53ClO4 |
| InChI | InChI=1S/C28H53ClO4/c1-2-3-4-5-6-7-8-9-10-12-15-20-25-32-27(30)22-17-18-23-28(31)33-26-21-16-13-11-14-19-24-29/h2-26H2,1H3 |
| InChIKey | NECYQUIQLJYGQL-UHFFFAOYSA-N |
| Molecular Weight | 489.181 g/mol |
| SMILES | C(OCCCCCCCCCl)(CCCCC(OCCCCCCCCCCCCCC)=O)=O |