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2-[2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHOXY]-2-OXO-ETHYL-2-(4-ISOBUTYLPHENYL)-PROPANOATE

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2-[2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHOXY]-2-OXO-ETHYL-2-(4-ISOBUTYLPHENYL)-PROPANOATE
SpectraBase Compound ID EfcDhYM7Eti
InChI InChI=1S/C19H27NO7S2/c1-14(2)12-16-4-6-17(7-5-16)15(3)19(22)26-13-18(21)25-8-10-28-29-11-9-27-20(23)24/h4-7,14-15H,8-13H2,1-3H3
InChIKey JSAMIAYLFVXRGF-UHFFFAOYSA-N
Mol Weight 445.55 g/mol
Molecular Formula C19H27NO7S2
Exact Mass 445.122895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G4YC6gQ3m74
Name 2-[2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHOXY]-2-OXO-ETHYL-2-(4-ISOBUTYLPHENYL)-PROPANOATE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H27NO7S2
InChI InChI=1S/C19H27NO7S2/c1-14(2)12-16-4-6-17(7-5-16)15(3)19(22)26-13-18(21)25-8-10-28-29-11-9-27-20(23)24/h4-7,14-15H,8-13H2,1-3H3
InChIKey JSAMIAYLFVXRGF-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 445.546 g/mol
Source File Reference UWBT4743