| SpectraBase Compound ID | IwQ7AnPB5ay |
|---|---|
| InChI | InChI=1S/C8H17NS2/c1-3-5-6-9-8(10)11-7-4-2/h3-7H2,1-2H3,(H,9,10) |
| InChIKey | XMSBBZIAUOPLSF-UHFFFAOYSA-N |
| Mol Weight | 191.35 g/mol |
| Molecular Formula | C8H17NS2 |
| Exact Mass | 191.080242 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ARha4bqPGnu |
|---|---|
| Name | Carbamodithioic acid, butyl-, propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.080241899 u |
| Formula | C8H17NS2 |
| InChI | InChI=1S/C8H17NS2/c1-3-5-6-9-8(10)11-7-4-2/h3-7H2,1-2H3,(H,9,10) |
| InChIKey | XMSBBZIAUOPLSF-UHFFFAOYSA-N |
| Molecular Weight | 191.351 g/mol |
| SMILES | C(=S)(NCCCC)SCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.897507 |