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1,5-bis[(2-Naphthylmethyl)thio]pentane

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

1,5-bis[(2-Naphthylmethyl)thio]pentane
SpectraBase Compound ID KcyOQnUxu81
InChI InChI=1S/C27H28S2/c1(6-16-28-20-22-12-14-24-8-2-4-10-26(24)18-22)7-17-29-21-23-13-15-25-9-3-5-11-27(25)19-23/h2-5,8-15,18-19H,1,6-7,16-17,20-21H2
InChIKey FZAPQSCGEBPDPK-UHFFFAOYSA-N
Mol Weight 416.64 g/mol
Molecular Formula C27H28S2
Exact Mass 416.163243 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5WUHGSQInuS
Name 1,5-bis[(2-Naphthylmethyl)thio]pentane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.163243250 u
Formula C27H28S2
InChI InChI=1S/C27H28S2/c1(6-16-28-20-22-12-14-24-8-2-4-10-26(24)18-22)7-17-29-21-23-13-15-25-9-3-5-11-27(25)19-23/h2-5,8-15,18-19H,1,6-7,16-17,20-21H2
InChIKey FZAPQSCGEBPDPK-UHFFFAOYSA-N
Molecular Weight 416.641 g/mol
SMILES C=12C=CC=CC1C=CC(=C2)CSCCCCCSCC=1C=CC=2C=CC=CC2C1
Spectrum/Structure Validation Score (Raman) 0.937399