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MESO-8,12-BIS-[2-CARBOXY-2-(METHYLTHIO)-ETHYL]-3,17-DIETHYL-2,7,13,18-TETRAMETHYL-10H,21H,23H,24H-BILIN-1,19-DIONE
SpectraBase Compound ID FzbA4FygmCf
InChI InChI=1S/C35H44N4O6S2/c1-9-20-18(5)32(40)38-26(20)13-24-16(3)22(11-30(46-7)34(42)43)28(36-24)15-29-23(12-31(47-8)35(44)45)17(4)25(37-29)14-27-21(10-2)19(6)33(41)39-27/h13-14,30-31,36-37H,9-12,15H2,1-8H3,(H,38,40)(H,39,41)(H,42,43)(H,44,45)/b26-13-,27-14-
InChIKey YXZLNOOFDXWKKB-IFADSCNNSA-N
Mol Weight 680.9 g/mol
Molecular Formula C35H44N4O6S2
Exact Mass 680.270227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HAfXhf2R0Bn
Name MESO-8,12-BIS-[2-CARBOXY-2-(METHYLTHIO)-ETHYL]-3,17-DIETHYL-2,7,13,18-TETRAMETHYL-10H,21H,23H,24H-BILIN-1,19-DIONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H44N4O6S2
InChI InChI=1S/C35H44N4O6S2/c1-9-20-18(5)32(40)38-26(20)13-24-16(3)22(11-30(46-7)34(42)43)28(36-24)15-29-23(12-31(47-8)35(44)45)17(4)25(37-29)14-27-21(10-2)19(6)33(41)39-27/h13-14,30-31,36-37H,9-12,15H2,1-8H3,(H,38,40)(H,39,41)(H,42,43)(H,44,45)/b26-13-,27-14-
InChIKey YXZLNOOFDXWKKB-IFADSCNNSA-N
Literature Reference Author S.E.BOIADJIEV,D.A.LIGHTNER
Literature Reference Citation J.ORG.CHEM.,63,6220(1998)
Literature Reference DOI 10.1021/jo980740e
Molecular Weight 680.878 g/mol
Sample ID 37603
Solvent ACETONE-D6