| SpectraBase Compound ID | AXqmu2EnAX3 |
|---|---|
| InChI | InChI=1S/C8H9ClS/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3 |
| InChIKey | IXJYIAHRRUZCOB-UHFFFAOYSA-N |
| Mol Weight | 172.67 g/mol |
| Molecular Formula | C8H9ClS |
| Exact Mass | 172.011349 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | A0IF1A8U4nJ |
|---|---|
| Name | p-Chlorobenzyl methyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.011349164 u |
| Formula | C8H9ClS |
| InChI | InChI=1S/C8H9ClS/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3 |
| InChIKey | IXJYIAHRRUZCOB-UHFFFAOYSA-N |
| Molecular Weight | 172.673 g/mol |
| SMILES | C=1C(=CC=C(C1)Cl)CSC |
| Spectrum/Structure Validation Score (Raman) | 0.907081 |