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TIMOLOL;-1-[(4-MORPHOLIN-4-YL-1,2,5-THIADIAZOL-3-YL)-OXY]-3-TERT.-BUTYLAMINO-PROPAN-2-OL-MALEATE
SpectraBase Compound ID EpzAJaabdec
InChI InChI=1S/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey WLRMANUAADYWEA-BTJKTKAUSA-N
Mol Weight 432.49 g/mol
Molecular Formula C17H28N4O7S
Exact Mass 432.16787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KPE2kkMSLA7
Name TIMOLOL;-1-[(4-MORPHOLIN-4-YL-1,2,5-THIADIAZOL-3-YL)-OXY]-3-TERT.-BUTYLAMINO-PROPAN-2-OL-MALEATE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H28N4O7S
InChI InChI=1S/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey WLRMANUAADYWEA-BTJKTKAUSA-N
Literature Reference Author M.A.ZIELINSKA-PISKLAK,D.M.PISKLAK,I.WAWER
Literature Reference Citation MAGN.RES.CHEM.,49,284(2011)
Literature Reference DOI 10.1002/mrc.2742
Molecular Weight 432.492 g/mol
Solvent DMSO-D6
Source File Reference UWBT12927