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2-(4-N-HEXYLOXYPHENYL)-5-(TRANS-4'-N-PENTYLCYCLOHEXYL)-1,3,4-THIADIAZOLE
SpectraBase Compound ID G94WiOIFJli
InChI InChI=1S/C25H38N2OS/c1-3-5-7-9-19-28-23-17-15-22(16-18-23)25-27-26-24(29-25)21-13-11-20(12-14-21)10-8-6-4-2/h15-18,20-21H,3-14,19H2,1-2H3/t20-,21-
InChIKey YQOAPCUDXSGYIF-MEMLXQNLSA-N
Mol Weight 414.7 g/mol
Molecular Formula C25H38N2OS
Exact Mass 414.270485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D0RKNqTwouO
Name 2-(4-N-HEXYLOXYPHENYL)-5-(TRANS-4'-N-PENTYLCYCLOHEXYL)-1,3,4-THIADIAZOLE
Compound Number 1575
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H38N2OS
InChI InChI=1S/C25H38N2OS/c1-3-5-7-9-19-28-23-17-15-22(16-18-23)25-27-26-24(29-25)21-13-11-20(12-14-21)10-8-6-4-2/h15-18,20-21H,3-14,19H2,1-2H3/t20-,21-
InChIKey YQOAPCUDXSGYIF-MEMLXQNLSA-N
Literature Reference Author W.ROBIEN
Literature Reference Citation W.ROBIEN,PRIVATE_COMMUNICATION
Molecular Weight 414.650 g/mol
Sample ID 3615
Solvent CDCl3