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2-[2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHOXY]-2-OXO-ETHYL-2-(2-FLUORO-[1,1'-BIPHENYL]-4-YL)-PROPANOATE
SpectraBase Compound ID 1KFgvluhtQx
InChI InChI=1S/C21H22FNO7S2/c1-15(17-7-8-18(19(22)13-17)16-5-3-2-4-6-16)21(25)29-14-20(24)28-9-11-31-32-12-10-30-23(26)27/h2-8,13,15H,9-12,14H2,1H3
InChIKey BOBFEXSZTJOEQI-UHFFFAOYSA-N
Mol Weight 483.53 g/mol
Molecular Formula C21H22FNO7S2
Exact Mass 483.082173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J8MGX7BEqRU
Name 2-[2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHOXY]-2-OXO-ETHYL-2-(2-FLUORO-[1,1'-BIPHENYL]-4-YL)-PROPANOATE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22FNO7S2
InChI InChI=1S/C21H22FNO7S2/c1-15(17-7-8-18(19(22)13-17)16-5-3-2-4-6-16)21(25)29-14-20(24)28-9-11-31-32-12-10-30-23(26)27/h2-8,13,15H,9-12,14H2,1H3
InChIKey BOBFEXSZTJOEQI-UHFFFAOYSA-N
Literature Reference Author N.BORHADE,A.R.PATHAN,S.HALDER,M.KARWA,M.DHIMAN,V.PAMIDIBOINA ,M.GUND
Literature Reference Citation CHEM.PHARM.BULL.,60,465(2012)
Literature Reference DOI 10.1248/cpb.60.465
Molecular Weight 483.527 g/mol
Source File Reference UWBT4740