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2-[p-(hexadecylsulfonyl)phenyl]-5-(methylthio)-1,3,4-thiadiazole

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

2-[p-(hexadecylsulfonyl)phenyl]-5-(methylthio)-1,3,4-thiadiazole
SpectraBase Compound ID Ly4Iftx8dkb
InChI InChI=1S/C25H40N2O2S3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32(28,29)23-19-17-22(18-20-23)24-26-27-25(30-2)31-24/h17-20H,3-16,21H2,1-2H3
InChIKey BEVWPXFDOSWZAR-UHFFFAOYSA-N
Mol Weight 496.8 g/mol
Molecular Formula C25H40N2O2S3
Exact Mass 496.225192 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DtVFWCc2rVN
Name 2-[p-(HEXADECYLSULFONYL)PHENYL]-5-(METHYLTHIO)-1,3,4-THIADIAZOLE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40N2O2S3
InChI InChI=1S/C25H40N2O2S3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32(28,29)23-19-17-22(18-20-23)24-26-27-25(30-2)31-24/h17-20H,3-16,21H2,1-2H3
InChIKey BEVWPXFDOSWZAR-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 496.80
Solvent CDCl3; Reference=TMS; Temperature 297K