| SpectraBase Compound ID | B2Ba34bfGJL |
|---|---|
| InChI | InChI=1S/C19H35ClO4/c1-3-4-5-12-15-23-18(21)13-10-8-6-7-9-11-14-19(22)24-16-17(2)20/h17H,3-16H2,1-2H3 |
| InChIKey | SETGDPYEEXRNNK-UHFFFAOYSA-N |
| Mol Weight | 362.9 g/mol |
| Molecular Formula | C19H35ClO4 |
| Exact Mass | 362.222387 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 | 4xoZcayMVCe |
|---|---|
| Name | Sebacic acid, 2-chloropropyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.222387303 u |
| Formula | C19H35ClO4 |
| InChI | InChI=1S/C19H35ClO4/c1-3-4-5-12-15-23-18(21)13-10-8-6-7-9-11-14-19(22)24-16-17(2)20/h17H,3-16H2,1-2H3 |
| InChIKey | SETGDPYEEXRNNK-UHFFFAOYSA-N |
| Molecular Weight | 362.938 g/mol |
| SMILES | C(CCCC(OCC(C)Cl)=O)CCCCC(OCCCCCC)=O |