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2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHYL-[2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-ACETYL]-CARBAMATE
SpectraBase Compound ID 8lJD6Gqq0UA
InChI InChI=1S/C24H24ClN3O8S2/c1-15-19(14-22(29)26-24(31)35-9-11-37-38-12-10-36-28(32)33)20-13-18(34-2)7-8-21(20)27(15)23(30)16-3-5-17(25)6-4-16/h3-8,13H,9-12,14H2,1-2H3,(H,26,29,31)
InChIKey CMECZGADUNRLLW-UHFFFAOYSA-N
Mol Weight 582.04 g/mol
Molecular Formula C24H24ClN3O8S2
Exact Mass 581.069335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D1xcP7OcTR8
Name 2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHYL-[2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-ACETYL]-CARBAMATE
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H24ClN3O8S2
InChI InChI=1S/C24H24ClN3O8S2/c1-15-19(14-22(29)26-24(31)35-9-11-37-38-12-10-36-28(32)33)20-13-18(34-2)7-8-21(20)27(15)23(30)16-3-5-17(25)6-4-16/h3-8,13H,9-12,14H2,1-2H3,(H,26,29,31)
InChIKey CMECZGADUNRLLW-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 582.043 g/mol
Source File Reference UWBT4752