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2-(3,7,11-TRIHYDROXY-10-METHYL-12,13-DIOXO-1,5,9-TRIAZABICYCLO-[7.3.1]-TRIDEC-10-EN-5-YL)-4-METHYLTHIOBUTANOIC_ACID
SpectraBase Compound ID BDZMPcsVMRv
InChI InChI=1S/C16H25N3O7S/c1-9-13(22)14(23)19-8-11(21)6-17(12(15(24)25)3-4-27-2)5-10(20)7-18(9)16(19)26/h10-12,20-22H,3-8H2,1-2H3,(H,24,25)
InChIKey YBOQKHKYKSRBPB-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 6s2rhNrxrQD
Name 2-(3,7,11-TRIHYDROXY-10-METHYL-12,13-DIOXO-1,5,9-TRIAZABICYCLO-[7.3.1]-TRIDEC-10-EN-5-YL)-4-METHYLTHIOBUTANOIC_ACID
Compound Number VII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H25N3O7S
InChI InChI=1S/C16H25N3O7S/c1-9-13(22)14(23)19-8-11(21)6-17(12(15(24)25)3-4-27-2)5-10(20)7-18(9)16(19)26/h10-12,20-22H,3-8H2,1-2H3,(H,24,25)
InChIKey YBOQKHKYKSRBPB-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 UWMZ21770