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Ditetradecyl sulfide

View entire compound with spectra: 3 NMR, 1 FTIR, 1 Raman, and 1 MS (GC)

Ditetradecyl sulfide
SpectraBase Compound ID 8cy0R1y3K5b
InChI InChI=1S/C28H58S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKey OCTONCPZMJYQLP-UHFFFAOYSA-N
Mol Weight 426.8 g/mol
Molecular Formula C28H58S
Exact Mass 426.425923 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 4PGUylc7XcF
Name Ditetradecyl sulfide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.425923042 u
Formula C28H58S
InChI InChI=1S/C28H58S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKey OCTONCPZMJYQLP-UHFFFAOYSA-N
Molecular Weight 426.832 g/mol
SMILES CCCCCCCCCCCCCCSCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Raman) 0.995892