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9-TERT.-BUTOXYCARBONYL-8-(2-METHOXYCARBONYLETHYL)-3,3,7-TRIMETHYL-2,3-DIHYDRODIPYRRIN-1-(10H)-THIONE
SpectraBase Compound ID 6VKA0zFbiIG
InChI InChI=1S/C21H30N2O4S/c1-12-13(8-9-17(24)26-7)18(19(25)27-20(2,3)4)22-14(12)10-15-21(5,6)11-16(28)23-15/h10,22H,8-9,11H2,1-7H3,(H,23,28)/b15-10-
InChIKey FTJBRSDVKDVJCA-GDNBJRDFSA-N
Mol Weight 406.54 g/mol
Molecular Formula C21H30N2O4S
Exact Mass 406.192629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FtOke8N4XCO
Name 9-TERT.-BUTOXYCARBONYL-8-(2-METHOXYCARBONYLETHYL)-3,3,7-TRIMETHYL-2,3-DIHYDRODIPYRRIN-1-(10H)-THIONE
Compound Number 55
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30N2O4S
InChI InChI=1S/C21H30N2O4S/c1-12-13(8-9-17(24)26-7)18(19(25)27-20(2,3)4)22-14(12)10-15-21(5,6)11-16(28)23-15/h10,22H,8-9,11H2,1-7H3,(H,23,28)/b15-10-
InChIKey FTJBRSDVKDVJCA-GDNBJRDFSA-N
Literature Reference Author J.MICKLEFIELD,M.BECKMANN,R.L.MACKMAN,M.H.BLOCK,F.J.LEEPER,A. R.BATTERSBY
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2123(1997)
Literature Reference DOI 10.1039/a700655a
Molecular Weight 406.540 g/mol
Solvent CDCl3
Source File Reference UWRU9416