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5,6,7,8,10,11,12,13,14,19,20,21,22-Dodecahydro-dibenzo-[B,M]-[1,15,8,5,11]-dioxa-thiadiaza-cyclononadecine-water(4:1)
SpectraBase Compound ID 5VwbinmQQoY
InChI InChI=1S/C22H30N2O2S/c1-3-9-21-19(7-1)17-23-11-15-27-16-12-24-18-20-8-2-4-10-22(20)26-14-6-5-13-25-21/h1-4,7-10,23-24H,5-6,11-18H2
InChIKey VXDWZULCVAPUHG-UHFFFAOYSA-N
Mol Weight 386.55 g/mol
Molecular Formula C22H30N2O2S
Exact Mass 386.202799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G9217uNRotv
Name 5,6,7,8,10,11,12,13,14,19,20,21,22-DODECAHYDRO-DIBENZO-[B,M]-[1,15,8,5,11]-DIOXA-THIADIAZA-CYCLONONADECINE-WATER(4:1)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30N2O2S
InChI InChI=1S/C22H30N2O2S/c1-3-9-21-19(7-1)17-23-11-15-27-16-12-24-18-20-8-2-4-10-22(20)26-14-6-5-13-25-21/h1-4,7-10,23-24H,5-6,11-18H2
InChIKey VXDWZULCVAPUHG-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 386.552 g/mol
Solvent CDCl3
Source File Reference UNIW22312