SpectraBase Spectrum ID |
EHKRdwodLZd |
Name |
(1S,6R)-2,5-Dioxa-7,9-dithiabicyclo[4.3.0]nonan-8-thione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
193.952992953 u |
Formula |
C5H6O2S3 |
InChI |
InChI=1S/C5H6O2S3/c8-5-9-3-4(10-5)7-2-1-6-3/h3-4H,1-2H2/t3-,4+ |
InChIKey |
ZWZVOHMRLUVZTQ-ZXZARUISSA-N |
Molecular Weight |
194.281 g/mol |
SMILES |
C1(S[C@]2([C@@](S1)(OCCO2)[H])[H])=S |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923694 |