| SpectraBase Compound ID | IKbs9gTxodh |
|---|---|
| InChI | InChI=1S/C19H27ClO4/c1-4-5-6-7-8-9-14-23-17(21)19(2,3)18(22)24-16-12-10-15(20)11-13-16/h10-13H,4-9,14H2,1-3H3 |
| InChIKey | ULBNLQQQXAJKOQ-UHFFFAOYSA-N |
| Mol Weight | 354.87 g/mol |
| Molecular Formula | C19H27ClO4 |
| Exact Mass | 354.159787 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 | GyeBRGkYaIe |
|---|---|
| Name | Dimethylmalonic acid, 4-chlorophenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.159787045 u |
| Formula | C19H27ClO4 |
| InChI | InChI=1S/C19H27ClO4/c1-4-5-6-7-8-9-14-23-17(21)19(2,3)18(22)24-16-12-10-15(20)11-13-16/h10-13H,4-9,14H2,1-3H3 |
| InChIKey | ULBNLQQQXAJKOQ-UHFFFAOYSA-N |
| Molecular Weight | 354.874 g/mol |
| SMILES | C1=C(C=CC(=C1)OC(=O)C(C)(C)C(OCCCCCCCC)=O)Cl |