| SpectraBase Compound ID | VU3oCqONjo |
|---|---|
| InChI | InChI=1S/C7H15ClS2/c1-2-3-4-10-6-7(8)5-9/h7,9H,2-6H2,1H3 |
| InChIKey | XHCXYEIYPZCCOV-UHFFFAOYSA-N |
| Mol Weight | 198.77 g/mol |
| Molecular Formula | C7H15ClS2 |
| Exact Mass | 198.030371 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | C4r0XBbmHJ2 |
|---|---|
| Name | 2-Chloro-3-N-butylthiopropanethiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.030370531 u |
| Formula | C7H15ClS2 |
| InChI | InChI=1S/C7H15ClS2/c1-2-3-4-10-6-7(8)5-9/h7,9H,2-6H2,1H3 |
| InChIKey | XHCXYEIYPZCCOV-UHFFFAOYSA-N |
| Molecular Weight | 198.770 g/mol |
| SMILES | C(Cl)(CS)CSCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895077 |