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4-chloro-2-nitrophenyl hexadecyl sulfide

View entire compound with spectra: 3 NMR, and 1 FTIR

4-chloro-2-nitrophenyl hexadecyl sulfide
SpectraBase Compound ID ENhnGyfLLM4
InChI InChI=1S/C22H36ClNO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-22-17-16-20(23)19-21(22)24(25)26/h16-17,19H,2-15,18H2,1H3
InChIKey PFNSJDSINNSZCU-UHFFFAOYSA-N
Mol Weight 414.0 g/mol
Molecular Formula C22H36ClNO2S
Exact Mass 413.215528 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I4sDlANM3FI
Name 4-CHLORO-2-NITROPHENYL HEXADECYL SULFIDE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36ClNO2S
InChI InChI=1S/C22H36ClNO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-22-17-16-20(23)19-21(22)24(25)26/h16-17,19H,2-15,18H2,1H3
InChIKey PFNSJDSINNSZCU-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 414.05
Solvent CDCl3; Reference=TMS; Temperature 297K