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2-(3,7-DIHYDROXY-12,13-DIOXO-1,5,9-TRIAZABICYCLO-[7.3.1]-TRIDEC-10-EN-5-YL)-4-METHYLTHIOBUTANOIC_ACID
SpectraBase Compound ID AfYOAq7AIW3
InChI InChI=1S/C15H23N3O6S/c1-25-5-3-12(14(22)23)17-7-10(19)6-16-4-2-13(21)18(15(16)24)9-11(20)8-17/h2,4,10-12,19-20H,3,5-9H2,1H3,(H,22,23)
InChIKey BFTXGRHKKZICEJ-UHFFFAOYSA-N
Mol Weight 373.42 g/mol
Molecular Formula C15H23N3O6S
Exact Mass 373.130757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LjwoqCkKDRJ
Name 2-(3,7-DIHYDROXY-12,13-DIOXO-1,5,9-TRIAZABICYCLO-[7.3.1]-TRIDEC-10-EN-5-YL)-4-METHYLTHIOBUTANOIC_ACID
Compound Number V
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H23N3O6S
InChI InChI=1S/C15H23N3O6S/c1-25-5-3-12(14(22)23)17-7-10(19)6-16-4-2-13(21)18(15(16)24)9-11(20)8-17/h2,4,10-12,19-20H,3,5-9H2,1H3,(H,22,23)
InChIKey BFTXGRHKKZICEJ-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 373.424 g/mol
Solvent D2O
Source File Reference UWMZ21768