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6,7,8,9,10,11,12,13,19,20-Decahydro-5H-dibenzo-[E,P]-[1,4,8,11,14]-dithia-triaza-cycloheptadecine-water(1:1)
SpectraBase Compound ID 4rafkrdxc1B
InChI InChI=1S/C20H27N3S2/c1-3-7-19-17(5-1)15-22-11-9-21-10-12-23-16-18-6-2-4-8-20(18)25-14-13-24-19/h1-8,21-23H,9-16H2
InChIKey MFPKZKYFXBWCPG-UHFFFAOYSA-N
Mol Weight 373.58 g/mol
Molecular Formula C20H27N3S2
Exact Mass 373.16464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C7nsXEuphnc
Name 6,7,8,9,10,11,12,13,19,20-DECAHYDRO-5H-DIBENZO-[E,P]-[1,4,8,11,14]-DITHIA-TRIAZA-CYCLOHEPTADECINE-WATER(1:1)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H27N3S2
InChI InChI=1S/C20H27N3S2/c1-3-7-19-17(5-1)15-22-11-9-21-10-12-23-16-18-6-2-4-8-20(18)25-14-13-24-19/h1-8,21-23H,9-16H2
InChIKey MFPKZKYFXBWCPG-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 373.574 g/mol
Solvent CDCl3
Source File Reference UNIW22316