| SpectraBase Spectrum ID |
H5VLCOUpq0O |
| Name |
2-[(2,3,4,5-Tetramethyl-1-cyclopenta-2,4-dienyl)methyl]-1,3-dithiane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.116293056 u |
| Formula |
C14H22S2 |
| InChI |
InChI=1S/C14H22S2/c1-9-10(2)12(4)13(11(9)3)8-14-15-6-5-7-16-14/h13-14H,5-8H2,1-4H3 |
| InChIKey |
CGERBGAOLDKFJP-UHFFFAOYSA-N |
| Molecular Weight |
254.450 g/mol |
| SMILES |
C1(=C(C(=C(C1CC1SCCCS1)C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961287 |
![2-[(2,3,4,5-Tetramethyl-1-cyclopenta-2,4-dienyl)methyl]-1,3-dithiane](/api/spectrum/H5VLCOUpq0O/structure.png?h=300&w=458 "2-[(2,3,4,5-Tetramethyl-1-cyclopenta-2,4-dienyl)methyl]-1,3-dithiane")
