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5,6,7,8,10,11,12,13,20,21-Decahydro-19H-dibenzo-[F,M]-[1,8,12,14,16]-trithia-diaza-cyclooctadecine-water(3:1)
SpectraBase Compound ID EoX67UMxMzq
InChI InChI=1S/C21H28N2S3/c1-3-8-20-18(6-1)16-22-10-14-24-15-11-23-17-19-7-2-4-9-21(19)26-13-5-12-25-20/h1-4,6-9,22-23H,5,10-17H2
InChIKey NMSHNJMNVDTUHW-UHFFFAOYSA-N
Mol Weight 404.65 g/mol
Molecular Formula C21H28N2S3
Exact Mass 404.141462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fuj5iuZVOTD
Name 5,6,7,8,10,11,12,13,20,21-DECAHYDRO-19H-DIBENZO-[F,M]-[1,8,12,14,16]-TRITHIA-DIAZA-CYCLOOCTADECINE-WATER(3:1)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28N2S3
InChI InChI=1S/C21H28N2S3/c1-3-8-20-18(6-1)16-22-10-14-24-15-11-23-17-19-7-2-4-9-21(19)26-13-5-12-25-20/h1-4,6-9,22-23H,5,10-17H2
InChIKey NMSHNJMNVDTUHW-UHFFFAOYSA-N
Literature Reference Author D.BALDWIN,P.DUCKWORTH,G.ERICKSON,L.LINDOY,M.MCPARTLIN,G.MOCK LER,W.MOODY,P.TASKER
Literature Reference Citation AUSTR.J.CHEM.,40,1861(1987)
Literature Reference DOI 10.1071/ch9871861
Molecular Weight 404.647 g/mol
Solvent CDCl3
Source File Reference UNIW22320