SpectraBase Spectrum ID |
D6yvZVeoanX |
Name |
2-Allyl-2-methyl-6,10-dithiaspiro[4.5]decan-1-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
244.095557611 u |
Formula |
C12H20OS2 |
InChI |
InChI=1S/C12H20OS2/c1-3-5-11(2)6-7-12(10(11)13)14-8-4-9-15-12/h3,10,13H,1,4-9H2,2H3 |
InChIKey |
YUNHVNDUOXCVKM-UHFFFAOYSA-N |
Molecular Weight |
244.411 g/mol |
SMILES |
C12(C(C(CC=C)(C)CC2)O)SCCCS1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93942 |