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CXLQCJOCQQQFSB-HWWNHIDJSA-N
SpectraBase Compound ID GurULC0NpzD
InChI InChI=1S/C23H28N2O5S/c1-17(2)22(25-31(28,29)20-13-11-18(3)12-14-20)23(27)24-16-21(26)30-15-7-10-19-8-5-4-6-9-19/h4-14,17,22,25H,15-16H2,1-3H3,(H,24,27)/b10-7+/t22-/m1/s1
InChIKey CXLQCJOCQQQFSB-HWWNHIDJSA-N
Mol Weight 444.55 g/mol
Molecular Formula C23H28N2O5S
Exact Mass 444.171893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2IJLu7zLMfs
Name CXLQCJOCQQQFSB-HWWNHIDJSA-N
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H28N2O5S
InChI InChI=1S/C23H28N2O5S/c1-17(2)22(25-31(28,29)20-13-11-18(3)12-14-20)23(27)24-16-21(26)30-15-7-10-19-8-5-4-6-9-19/h4-14,17,22,25H,15-16H2,1-3H3,(H,24,27)/b10-7+/t22-/m1/s1
InChIKey CXLQCJOCQQQFSB-HWWNHIDJSA-N
Literature Reference Author U.KAZMAIER,S.MAIER
Literature Reference Citation J.ORG.CHEM.,64,4574(1999)
Literature Reference DOI 10.1021/jo9904821
Molecular Weight 444.546 g/mol
Sample ID 57897
Solvent CDCl3