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2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHYL-2-(2-FLUORO-[1,1'-BIPHENYL]-4-YL)-PROPANOATE
SpectraBase Compound ID CTPnOYRlfu0
InChI InChI=1S/C19H20FNO5S2/c1-14(19(22)25-9-11-27-28-12-10-26-21(23)24)16-7-8-17(18(20)13-16)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3
InChIKey MMHCGCQBANJXHO-UHFFFAOYSA-N
Mol Weight 425.49 g/mol
Molecular Formula C19H20FNO5S2
Exact Mass 425.076693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ZqA4lBJlyW
Name 2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHYL-2-(2-FLUORO-[1,1'-BIPHENYL]-4-YL)-PROPANOATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20FNO5S2
InChI InChI=1S/C19H20FNO5S2/c1-14(19(22)25-9-11-27-28-12-10-26-21(23)24)16-7-8-17(18(20)13-16)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3
InChIKey MMHCGCQBANJXHO-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 425.490 g/mol
Source File Reference UWBT4735