| SpectraBase Compound ID | FN0ntUd26VR |
|---|---|
| InChI | InChI=1S/C10H11ClS2/c11-7-4-8-13-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
| InChIKey | BDQQAPHCSKRNPV-UHFFFAOYSA-N |
| Mol Weight | 230.77 g/mol |
| Molecular Formula | C10H11ClS2 |
| Exact Mass | 229.99907 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 96aneaFikpB |
|---|---|
| Name | Benzenecarbodithioic acid, 3-chloropropyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.999070402 u |
| Formula | C10H11ClS2 |
| InChI | InChI=1S/C10H11ClS2/c11-7-4-8-13-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
| InChIKey | BDQQAPHCSKRNPV-UHFFFAOYSA-N |
| Molecular Weight | 230.771 g/mol |
| SMILES | C(=S)(C=1C=CC=CC1)SCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861154 |