| SpectraBase Compound ID | 2Ca0Q2TZ4zB |
|---|---|
| InChI | InChI=1S/C7H13NS/c1-2-3-4-5-6-9-7-8/h2-6H2,1H3 |
| InChIKey | BESHFZBHEPQOSU-UHFFFAOYSA-N |
| Mol Weight | 143.25 g/mol |
| Molecular Formula | C7H13NS |
| Exact Mass | 143.076871 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Re9GqaFopE |
|---|---|
| Name | 1-Thiocyanatohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 143.076870597 u |
| Formula | C7H13NS |
| InChI | InChI=1S/C7H13NS/c1-2-3-4-5-6-9-7-8/h2-6H2,1H3 |
| InChIKey | BESHFZBHEPQOSU-UHFFFAOYSA-N |
| SMILES | C(C)CCCCSC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922119 |