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Dodecyl hexanedithiolate

View entire compound with spectra: 1 NMR, and 1 FTIR

Dodecyl hexanedithiolate
SpectraBase Compound ID F69I1vCfweT
InChI InChI=1S/C30H58O2S2/c1-3-5-7-9-11-13-15-17-19-23-27-33-29(31)25-21-22-26-30(32)34-28-24-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKey PSWMHHSFLHHCTF-UHFFFAOYSA-N
Mol Weight 514.9 g/mol
Molecular Formula C30H58O2S2
Exact Mass 514.387823 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 75jeuK49VDG
Name Dodecyl hexanedithiolate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 514.387823454 u
Formula C30H58O2S2
InChI InChI=1S/C30H58O2S2/c1-3-5-7-9-11-13-15-17-19-23-27-33-29(31)25-21-22-26-30(32)34-28-24-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKey PSWMHHSFLHHCTF-UHFFFAOYSA-N
Molecular Weight 514.912 g/mol
SMILES C(C(SCCCCCCCCCCCC)=O)CCCC(SCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940414