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N-[(1S,3R,9S,12R,15S)-3,12-DIMETHYL-4,10,13-TRIOXO-2-THIA-5,11,14-TRIAZATRICYCLO-[12.2.1.0(5,9)]-HEPTADECAN-15-YLCARBONYL]-N,N'-(DIMETHYL)-ETHYLEN
SpectraBase Compound ID M4WtyNdZTV
InChI InChI=1S/C20H33N5O4S/c1-12-19(28)25-11-14(10-16(25)17(26)21-7-9-23(3)4)30-13(2)20(29)24-8-5-6-15(24)18(27)22-12/h12-16H,5-11H2,1-4H3,(H,21,26)(H,22,27)/t12-,13+,14?,15-,16?/m0/s1
InChIKey ZMMLJYXRLKFAJU-LXINESAQSA-N
Mol Weight 439.6 g/mol
Molecular Formula C20H33N5O4S
Exact Mass 439.225326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 71zvhNBcoGq
Name N-[(1S,3R,9S,12R,15S)-3,12-DIMETHYL-4,10,13-TRIOXO-2-THIA-5,11,14-TRIAZATRICYCLO-[12.2.1.0(5,9)]-HEPTADECAN-15-YLCARBONYL]-N,N'-(DIMETHYL)-ETHYLEN
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H33N5O4S
InChI InChI=1S/C20H33N5O4S/c1-12-19(28)25-11-14(10-16(25)17(26)21-7-9-23(3)4)30-13(2)20(29)24-8-5-6-15(24)18(27)22-12/h12-16H,5-11H2,1-4H3,(H,21,26)(H,22,27)/t12-,13+,14?,15-,16?/m0/s1
InChIKey ZMMLJYXRLKFAJU-LXINESAQSA-N
Literature Reference Author A.LEWIS,T.J.RUTHERFORD,J.WILKIE,T.JENN,D.GANI
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3795(1998)
Literature Reference DOI 10.1039/a806032k
Molecular Weight 439.573 g/mol
Solvent CDCl3
Source File Reference UWCP9252