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(Z)-2-[2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHOXY]-2-OXO-ETHYL-2-(5-FLUORO-2-METHYL-1-[(4-(METHYLSULFINYL)-BENZYLIDENE)-1H-INDEN-3-YL]-ACETATE
SpectraBase Compound ID 3NZLhf0DT5I
InChI InChI=1S/C26H26FNO8S3/c1-17-22(13-18-3-6-20(7-4-18)39(2)33)21-8-5-19(27)14-24(21)23(17)15-25(29)35-16-26(30)34-9-11-37-38-12-10-36-28(31)32/h3-8,13-14H,9-12,15-16H2,1-2H3/b22-13-
InChIKey SXFANMKJIWCVQK-XKZIYDEJSA-N
Mol Weight 595.67 g/mol
Molecular Formula C26H26FNO8S3
Exact Mass 595.080458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BpLgUCRfh53
Name (Z)-2-[2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHOXY]-2-OXO-ETHYL-2-(5-FLUORO-2-METHYL-1-[(4-(METHYLSULFINYL)-BENZYLIDENE)-1H-INDEN-3-YL]-ACETATE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H26FNO8S3
InChI InChI=1S/C26H26FNO8S3/c1-17-22(13-18-3-6-20(7-4-18)39(2)33)21-8-5-19(27)14-24(21)23(17)15-25(29)35-16-26(30)34-9-11-37-38-12-10-36-28(31)32/h3-8,13-14H,9-12,15-16H2,1-2H3/b22-13-
InChIKey SXFANMKJIWCVQK-XKZIYDEJSA-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 595.673 g/mol
Source File Reference UWBT4742