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

*Links on SpectraBase are not permalinks.

2,2'-Diicosanyldisulfide

View entire compound with spectra: 1 NMR, and 2 MS (GC)

2,2'-Diicosanyldisulfide
SpectraBase Compound ID AhxeI5H6NeZ
InChI InChI=1S/C40H82S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3)41-42-40(4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h39-40H,5-38H2,1-4H3
InChIKey AQISZSZUCKYPIN-UHFFFAOYSA-N
Mol Weight 627.2 g/mol
Molecular Formula C40H82S2
Exact Mass 626.585795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID IFqeFYsljTG
Name 2,2'-Diicosanyldisulfide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 626.585794988 u
Formula C40H82S2
InChI InChI=1S/C40H82S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3)41-42-40(4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h39-40H,5-38H2,1-4H3
InChIKey AQISZSZUCKYPIN-UHFFFAOYSA-N
Molecular Weight 627.216 g/mol
SMILES C(CCCCCCCCCCCCCCCCC)C(SSC(CCCCCCCCCCCCCCCCCC)C)C