| SpectraBase Compound ID | 8pFvipfUnfQ |
|---|---|
| InChI | InChI=1S/C11H18S2/c1-2-6-11(9-10-4-5-10)12-7-3-8-13-11/h9H,2-8H2,1H3 |
| InChIKey | LZJIWCPJSOBGSC-UHFFFAOYSA-N |
| Mol Weight | 214.38 g/mol |
| Molecular Formula | C11H18S2 |
| Exact Mass | 214.084993 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BtBRduT5uaz |
|---|---|
| Name | 2-Cyclopropylidenemethyl-2-propyl-1,3-dithiane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.084992928 u |
| Formula | C11H18S2 |
| InChI | InChI=1S/C11H18S2/c1-2-6-11(9-10-4-5-10)12-7-3-8-13-11/h9H,2-8H2,1H3 |
| InChIKey | LZJIWCPJSOBGSC-UHFFFAOYSA-N |
| Molecular Weight | 214.385 g/mol |
| SMILES | C1(=CC2(SCCCS2)CCC)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.841915 |