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METHYL-(1S,3R,9S,15S)-3,12-DIMETHYL-4,10,13-TRIOXO-2-THIA-5,11,14-TRIAZATRICYCLO-[12.2.1.0(5,9)]-HEPTADECANE-15-CARBOXYLATE
SpectraBase Compound ID 9eq2K5Y0FKd
InChI InChI=1S/C17H25N3O5S/c1-9-15(22)20-8-11(7-13(20)17(24)25-3)26-10(2)16(23)19-6-4-5-12(19)14(21)18-9/h9-13H,4-8H2,1-3H3,(H,18,21)/t9-,10+,11?,12-,13?/m0/s1
InChIKey MIFCTCBHEQPIRL-SZQBSXBZSA-N
Mol Weight 383.46 g/mol
Molecular Formula C17H25N3O5S
Exact Mass 383.151492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5an4VlKGKBm
Name METHYL-(1S,3R,9S,15S)-3,12-DIMETHYL-4,10,13-TRIOXO-2-THIA-5,11,14-TRIAZATRICYCLO-[12.2.1.0(5,9)]-HEPTADECANE-15-CARBOXYLATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H25N3O5S
InChI InChI=1S/C17H25N3O5S/c1-9-15(22)20-8-11(7-13(20)17(24)25-3)26-10(2)16(23)19-6-4-5-12(19)14(21)18-9/h9-13H,4-8H2,1-3H3,(H,18,21)/t9-,10+,11?,12-,13?/m0/s1
InChIKey MIFCTCBHEQPIRL-SZQBSXBZSA-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 383.463 g/mol
Solvent DMSO-D6