For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-(3-Mercapto-propylsulfanyl)-pent-4-ene-2,3-diol

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1-(3-Mercapto-propylsulfanyl)-pent-4-ene-2,3-diol
SpectraBase Compound ID 4LD6AIAN6Ot
InChI InChI=1S/C8H16O2S2/c1-2-7(9)8(10)6-12-5-3-4-11/h2,7-11H,1,3-6H2/t7-,8+/m0/s1
InChIKey WNRAYPDDELPWLJ-JGVFFNPUSA-N
Mol Weight 208.33 g/mol
Molecular Formula C8H16O2S2
Exact Mass 208.059172 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID A8tHpZbQ2zt
Name 1-(3-Mercapto-propylsulfanyl)-pent-4-ene-2,3-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.059172101 u
Formula C8H16O2S2
InChI InChI=1S/C8H16O2S2/c1-2-7(9)8(10)6-12-5-3-4-11/h2,7-11H,1,3-6H2/t7-,8+/m0/s1
InChIKey WNRAYPDDELPWLJ-JGVFFNPUSA-N
Molecular Weight 208.334 g/mol
SMILES [C@]([C@](C=C)(O)[H])(O)(CSCCCS)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936419