| SpectraBase Compound ID | AZSlpnPhied |
|---|---|
| InChI | InChI=1S/C9H8ClNOS/c10-5-6-11-7-3-1-2-4-8(7)13-9(11)12/h1-4H,5-6H2 |
| InChIKey | VZRAYMNDMPDPBO-UHFFFAOYSA-N |
| Mol Weight | 213.68 g/mol |
| Molecular Formula | C9H8ClNOS |
| Exact Mass | 213.001513 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 | IzkA8af4jta |
|---|---|
| Name | 3-(2-Chloroethyl)-1,3-benzothiazol-2(3H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.001512755 u |
| Formula | C9H8ClNOS |
| InChI | InChI=1S/C9H8ClNOS/c10-5-6-11-7-3-1-2-4-8(7)13-9(11)12/h1-4H,5-6H2 |
| InChIKey | VZRAYMNDMPDPBO-UHFFFAOYSA-N |
| SMILES | C1(N(C2=CC=CC=C2S1)CCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.829298 |