| SpectraBase Compound ID | BEVroljMKAc |
|---|---|
| InChI | InChI=1S/C10H20S/c1-2-3-4-5-6-7-8-10-9-11-10/h10H,2-9H2,1H3 |
| InChIKey | RDHVPGPNQHDFPC-UHFFFAOYSA-N |
| Mol Weight | 172.33 g/mol |
| Molecular Formula | C10H20S |
| Exact Mass | 172.128572 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LWcbwJuSvYh |
|---|---|
| Name | Thiirane, octyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.128571818 u |
| Formula | C10H20S |
| InChI | InChI=1S/C10H20S/c1-2-3-4-5-6-7-8-10-9-11-10/h10H,2-9H2,1H3 |
| InChIKey | RDHVPGPNQHDFPC-UHFFFAOYSA-N |
| Molecular Weight | 172.330 g/mol |
| SMILES | C1SC1CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933051 |