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2-(11-FLUORO-3,7-DIHYDROXY-12,13-DIOXO-1,5,9-TRIAZABICYCLO-[7.3.1]-TRIDEC-10-EN-5-YL)-4-METHYLSULFINYLBUTANOIC_ACID
SpectraBase Compound ID 6OYDSzsFhGe
InChI InChI=1S/C15H22FN3O7S/c1-27(26)3-2-12(14(23)24)17-4-9(20)6-18-8-11(16)13(22)19(15(18)25)7-10(21)5-17/h8-10,12,20-21H,2-7H2,1H3,(H,23,24)
InChIKey OMYLBCPCNSTZKQ-UHFFFAOYSA-N
Mol Weight 407.41 g/mol
Molecular Formula C15H22FN3O7S
Exact Mass 407.116249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Kz2CEf5Q8O
Name 2-(11-FLUORO-3,7-DIHYDROXY-12,13-DIOXO-1,5,9-TRIAZABICYCLO-[7.3.1]-TRIDEC-10-EN-5-YL)-4-METHYLSULFINYLBUTANOIC_ACID
Compound Number XII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H22FN3O7S
InChI InChI=1S/C15H22FN3O7S/c1-27(26)3-2-12(14(23)24)17-4-9(20)6-18-8-11(16)13(22)19(15(18)25)7-10(21)5-17/h8-10,12,20-21H,2-7H2,1H3,(H,23,24)
InChIKey OMYLBCPCNSTZKQ-UHFFFAOYSA-N
Literature Reference Author V.P.KRIVONOGOV,G.A.SIVKOVA,E.A.BELAYA,N.V.GREBENKOVA,G.G.KOZ LOVA,I.B.ABDRAKHMANO
Literature Reference Citation RUSS.J.ORG.CHEM.,39,723(2003)
Literature Reference DOI 10.1023/A:1026029800973
Molecular Weight 407.414 g/mol
Solvent D2O
Source File Reference UWMZ21775