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NO-NSAID;2-[[(2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHOXY)-CARBONYL]-CARBAMOYL]-PHENYLACETATE
SpectraBase Compound ID LdmGkHYUeNZ
InChI InChI=1S/C14H16N2O8S2/c1-10(17)24-12-5-3-2-4-11(12)13(18)15-14(19)22-6-8-25-26-9-7-23-16(20)21/h2-5H,6-9H2,1H3,(H,15,18,19)
InChIKey YSSSZZLYNFHKNV-UHFFFAOYSA-N
Mol Weight 404.41 g/mol
Molecular Formula C14H16N2O8S2
Exact Mass 404.034808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37c9flDHOch
Name NO-NSAID;2-[[(2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHOXY)-CARBONYL]-CARBAMOYL]-PHENYLACETATE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16N2O8S2
InChI InChI=1S/C14H16N2O8S2/c1-10(17)24-12-5-3-2-4-11(12)13(18)15-14(19)22-6-8-25-26-9-7-23-16(20)21/h2-5H,6-9H2,1H3,(H,15,18,19)
InChIKey YSSSZZLYNFHKNV-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 404.410 g/mol
Source File Reference UWBT4745