| SpectraBase Compound ID | 48NLGHfLM0p |
|---|---|
| InChI | InChI=1S/C11H22S2/c1-3-4-5-6-7-8-11(2)12-9-10-13-11/h3-10H2,1-2H3 |
| InChIKey | VTRIENSAJQYGFJ-UHFFFAOYSA-N |
| Mol Weight | 218.42 g/mol |
| Molecular Formula | C11H22S2 |
| Exact Mass | 218.116293 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5jGS1HLh2bi |
|---|---|
| Name | 2-Heptyl-2-methyl-1,3-dithiolane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.116293056 u |
| Formula | C11H22S2 |
| InChI | InChI=1S/C11H22S2/c1-3-4-5-6-7-8-11(2)12-9-10-13-11/h3-10H2,1-2H3 |
| InChIKey | VTRIENSAJQYGFJ-UHFFFAOYSA-N |
| Molecular Weight | 218.417 g/mol |
| SMILES | C1(SCCS1)(C)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911683 |