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2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHYL-[2-(2-FLUORO-[1,1'-BIPHENYL]-4-YL)-PROPANOYL]-CARBAMATE;MAJOR-COMPONENT
SpectraBase Compound ID CymYkbcDJoy
InChI InChI=1S/C20H21FN2O6S2/c1-14(16-7-8-17(18(21)13-16)15-5-3-2-4-6-15)19(24)22-20(25)28-9-11-30-31-12-10-29-23(26)27/h2-8,13-14H,9-12H2,1H3,(H,22,24,25)
InChIKey HXKAIGAHHLLBRO-UHFFFAOYSA-N
Mol Weight 468.51 g/mol
Molecular Formula C20H21FN2O6S2
Exact Mass 468.082507 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5iYl6UPMV6k
Name 2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHYL-[2-(2-FLUORO-[1,1'-BIPHENYL]-4-YL)-PROPANOYL]-CARBAMATE;MAJOR-COMPONENT
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21FN2O6S2
InChI InChI=1S/C20H21FN2O6S2/c1-14(16-7-8-17(18(21)13-16)15-5-3-2-4-6-15)19(24)22-20(25)28-9-11-30-31-12-10-29-23(26)27/h2-8,13-14H,9-12H2,1H3,(H,22,24,25)
InChIKey HXKAIGAHHLLBRO-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 468.515 g/mol
Source File Reference UWBT4747