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2,4,6-Tribenzyl-S-trithiane

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

2,4,6-Tribenzyl-S-trithiane
SpectraBase Compound ID 40AU2gu1FDZ
InChI InChI=1S/C24H24S3/c1-4-10-19(11-5-1)16-22-25-23(17-20-12-6-2-7-13-20)27-24(26-22)18-21-14-8-3-9-15-21/h1-15,22-24H,16-18H2
InChIKey WFXMNOZGMALOQC-UHFFFAOYSA-N
Mol Weight 408.64 g/mol
Molecular Formula C24H24S3
Exact Mass 408.104014 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1mdorKpNoPF
Name 2,4,6-Tribenzyl-S-trithiane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.104014295 u
Formula C24H24S3
InChI InChI=1S/C24H24S3/c1-4-10-19(11-5-1)16-22-25-23(17-20-12-6-2-7-13-20)27-24(26-22)18-21-14-8-3-9-15-21/h1-15,22-24H,16-18H2
InChIKey WFXMNOZGMALOQC-UHFFFAOYSA-N
Molecular Weight 408.636 g/mol
SMILES C=1C(=CC=CC1)CC1SC(SC(S1)CC=1C=CC=CC1)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.994586