SpectraBase Spectrum ID |
CZrUHVWH4Ul |
Name |
4,4'-(1''-Methyleneethane-1'',2''-diyl)-bis[tetrahydro-2H-thiopyran-4-ol] |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
274.106122294 u |
Formula |
C13H22O2S2 |
InChI |
InChI=1S/C13H22O2S2/c1-11(13(15)4-8-17-9-5-13)10-12(14)2-6-16-7-3-12/h14-15H,1-10H2 |
InChIKey |
IRSZBRCIRHHTSL-UHFFFAOYSA-N |
Molecular Weight |
274.437 g/mol |
SMILES |
C(C1(CCSCC1)O)(CC1(CCSCC1)O)=C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830425 |