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2-(3,7-DIHYDROXY-10-METHYL-12,13-DIOXO-1,5,9-TRIAZABICYCLO-[7.3.1]-TRIDEC-10-EN-5-YL)-4-METHYLSULFINYLBUTANOIC_ACID
SpectraBase Compound ID GeFlyUY5CIO
InChI InChI=1S/C16H25N3O7S/c1-10-5-14(22)19-9-12(21)7-17(6-11(20)8-18(10)16(19)25)13(15(23)24)3-4-27(2)26/h5,11-13,20-21H,3-4,6-9H2,1-2H3,(H,23,24)
InChIKey BXGVYEKGZUDJAF-UHFFFAOYSA-N
Mol Weight 403.45 g/mol
Molecular Formula C16H25N3O7S
Exact Mass 403.141321 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KasAtpZ5WK
Name 2-(3,7-DIHYDROXY-10-METHYL-12,13-DIOXO-1,5,9-TRIAZABICYCLO-[7.3.1]-TRIDEC-10-EN-5-YL)-4-METHYLSULFINYLBUTANOIC_ACID
Compound Number X
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H25N3O7S
InChI InChI=1S/C16H25N3O7S/c1-10-5-14(22)19-9-12(21)7-17(6-11(20)8-18(10)16(19)25)13(15(23)24)3-4-27(2)26/h5,11-13,20-21H,3-4,6-9H2,1-2H3,(H,23,24)
InChIKey BXGVYEKGZUDJAF-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 403.450 g/mol
Solvent D2O
Source File Reference UWMZ21773