2-(3,7,11-TRIHYDROXY-10-METHYL-12,13-DIOXO-1,5,9-TRIAZABICYCLO-[7.3.1]-TRIDEC-10-EN-5-YL)-4-METHYLSULFINYLBUTANOIC_ACID

SpectraBase Compound ID	4auameGruV6
InChI	InChI=1S/C16H25N3O8S/c1-9-13(22)14(23)19-8-11(21)6-17(5-10(20)7-18(9)16(19)26)12(15(24)25)3-4-28(2)27/h10-12,20-22H,3-8H2,1-2H3,(H,24,25)
InChIKey	AAFSARPHBBFTOY-UHFFFAOYSA-N Google Search
Mol Weight	419.45 g/mol
Molecular Formula	C16H25N3O8S
Exact Mass	419.136236 g/mol

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SpectraBase Spectrum ID	A0h4zhqB1pd
Name	2-(3,7,11-TRIHYDROXY-10-METHYL-12,13-DIOXO-1,5,9-TRIAZABICYCLO-[7.3.1]-TRIDEC-10-EN-5-YL)-4-METHYLSULFINYLBUTANOIC_ACID
Compound Number	XI
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C16H25N3O8S
InChI	InChI=1S/C16H25N3O8S/c1-9-13(22)14(23)19-8-11(21)6-17(5-10(20)7-18(9)16(19)26)12(15(24)25)3-4-28(2)27/h10-12,20-22H,3-8H2,1-2H3,(H,24,25)
InChIKey	AAFSARPHBBFTOY-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	419.450 g/mol
Solvent	D2O
Source File Reference	UWMZ21774