| SpectraBase Compound ID | 8w6L5nC0kkS |
|---|---|
| InChI | InChI=1S/C14H19ClO2S/c15-10-6-1-2-7-11-17-14(16)12-18-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2 |
| InChIKey | PGMFEIJALLNPLJ-UHFFFAOYSA-N |
| Mol Weight | 286.82 g/mol |
| Molecular Formula | C14H19ClO2S |
| Exact Mass | 286.079429 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 | EKgzy0CU0k4 |
|---|---|
| Name | Phenylthioacetic acid, 6-chlorohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.079428724 u |
| Formula | C14H19ClO2S |
| InChI | InChI=1S/C14H19ClO2S/c15-10-6-1-2-7-11-17-14(16)12-18-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2 |
| InChIKey | PGMFEIJALLNPLJ-UHFFFAOYSA-N |
| SMILES | C(CSC1=CC=CC=C1)(OCCCCCCCl)=O |