| SpectraBase Compound ID | 7NS4V7q9j9q |
|---|---|
| InChI | InChI=1S/C16H29ClO4/c1-2-20-15(18)11-7-8-12-16(19)21-14-10-6-4-3-5-9-13-17/h2-14H2,1H3 |
| InChIKey | GGJPRBXSOZNTSB-UHFFFAOYSA-N |
| Mol Weight | 320.86 g/mol |
| Molecular Formula | C16H29ClO4 |
| Exact Mass | 320.175437 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 | Fi1m6nX2qXL |
|---|---|
| Name | Adipic acid, 8-chloroctyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.175437110 u |
| Formula | C16H29ClO4 |
| InChI | InChI=1S/C16H29ClO4/c1-2-20-15(18)11-7-8-12-16(19)21-14-10-6-4-3-5-9-13-17/h2-14H2,1H3 |
| InChIKey | GGJPRBXSOZNTSB-UHFFFAOYSA-N |
| Molecular Weight | 320.857 g/mol |
| SMILES | C(OCCCCCCCCCl)(CCCCC(OCC)=O)=O |