| SpectraBase Spectrum ID |
LKPtbljRmtw |
| Name |
1,3-Dithiane, 2-[2-methyl-2-(4-methyl-3-pentenyl)cyclopropyl]-, trans-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.131943121 u |
| Formula |
C14H24S2 |
| InChI |
InChI=1S/C14H24S2/c1-11(2)6-4-7-14(3)10-12(14)13-15-8-5-9-16-13/h6,12-13H,4-5,7-10H2,1-3H3/t12-,14+/m0/s1 |
| InChIKey |
SZICYCNAWMHVIF-GXTWGEPZSA-N |
| Molecular Weight |
256.466 g/mol |
| SMILES |
[C@]1([C@](C2SCCCS2)(C1)[H])(CCC=C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956282 |
![1,3-Dithiane, 2-[2-methyl-2-(4-methyl-3-pentenyl)cyclopropyl]-, trans-(.+-.)-](/api/spectrum/LKPtbljRmtw/structure.png?h=300&w=458 "1,3-Dithiane, 2-[2-methyl-2-(4-methyl-3-pentenyl)cyclopropyl]-, trans-(.+-.)-")
