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2-[2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHOXY]-2-OXO-ETHYL-2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-ACETATE

View entire compound with spectra: 1 NMR

2-[2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHOXY]-2-OXO-ETHYL-2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-ACETATE
SpectraBase Compound ID JjgJnRPIzWj
InChI InChI=1S/C25H25ClN2O9S2/c1-16-20(14-23(29)36-15-24(30)35-9-11-38-39-12-10-37-28(32)33)21-13-19(34-2)7-8-22(21)27(16)25(31)17-3-5-18(26)6-4-17/h3-8,13H,9-12,14-15H2,1-2H3
InChIKey KTUBDCNYLACROC-UHFFFAOYSA-N
Mol Weight 597.05 g/mol
Molecular Formula C25H25ClN2O9S2
Exact Mass 596.069 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CgZulfqimCY
Name 2-[2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHOXY]-2-OXO-ETHYL-2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-ACETATE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H25ClN2O9S2
InChI InChI=1S/C25H25ClN2O9S2/c1-16-20(14-23(29)36-15-24(30)35-9-11-38-39-12-10-37-28(32)33)21-13-19(34-2)7-8-22(21)27(16)25(31)17-3-5-18(26)6-4-17/h3-8,13H,9-12,14-15H2,1-2H3
InChIKey KTUBDCNYLACROC-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 597.055 g/mol
Source File Reference UWBT4744