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BENZYL-N-[2-(4-PHENOXYPHENOXY)-ETHYL]-DITHIOCARBAMATE

View entire compound with spectra: 1 NMR

BENZYL-N-[2-(4-PHENOXYPHENOXY)-ETHYL]-DITHIOCARBAMATE
SpectraBase Compound ID 9TyyDIEeEP8
InChI InChI=1S/2C22H21NO2S2/c2*26-22(27-17-18-7-3-1-4-8-18)23-15-16-24-19-11-13-21(14-12-19)25-20-9-5-2-6-10-20/h2*1-14H,15-17H2,(H,23,26)
InChIKey KWOUOBZEIAPWPA-UHFFFAOYSA-N
Mol Weight 791.07 g/mol
Molecular Formula C44H42N2O4S4
Exact Mass 790.202743 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5itE0XEo8rd
Name BENZYL-N-[2-(4-PHENOXYPHENOXY)-ETHYL]-DITHIOCARBAMATE
Compound Number 122
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H42N2O4S4
InChI InChI=1S/2C22H21NO2S2/c2*26-22(27-17-18-7-3-1-4-8-18)23-15-16-24-19-11-13-21(14-12-19)25-20-9-5-2-6-10-20/h2*1-14H,15-17H2,(H,23,26)
InChIKey KWOUOBZEIAPWPA-UHFFFAOYSA-N
Literature Reference Author E.ELHALEM,B.N.BAILEY,R.DOCAMPO,I.UJVARY,S.H.SZAJNMAN,J.B.ROD RIGUEZ
Literature Reference Citation J.MED.CHEM.,45,3984(2002)
Literature Reference DOI 10.1021/jm0201518
Molecular Weight 791.068 g/mol
Sample ID 64975
Solvent CDCl3