| SpectraBase Compound ID | 7i7jriU3ns5 |
|---|---|
| InChI | InChI=1S/C11H13ClOS/c1-8(2)11(13)14-7-9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3 |
| InChIKey | CJJHXBOJMXWZBZ-UHFFFAOYSA-N |
| Mol Weight | 228.74 g/mol |
| Molecular Formula | C11H13ClOS |
| Exact Mass | 228.037564 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 | DMqrlGzr9Ty |
|---|---|
| Name | 2-Chlorobenzenemethanethiol, S-(2-methylpropionyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.037563912 u |
| Formula | C11H13ClOS |
| InChI | InChI=1S/C11H13ClOS/c1-8(2)11(13)14-7-9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3 |
| InChIKey | CJJHXBOJMXWZBZ-UHFFFAOYSA-N |
| Molecular Weight | 228.737 g/mol |
| SMILES | C(SC(C(C)C)=O)C1=C(C=CC=C1)Cl |