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6-HYDROXY-3-{4-[4-(2-(1-METHYLPROPYL)-3-OXO-3,4-DIHYDRO-(2H)-1,2,4-TRIAZOL-4)-PHENYL]-PIPERAZIN-1-YL}-BENZO-[B]-THIOPHENE
SpectraBase Compound ID GUdt6YGooN2
InChI InChI=1S/C24H27N5O2S/c1-3-17(2)29-24(31)28(16-25-29)19-6-4-18(5-7-19)26-10-12-27(13-11-26)22-15-32-23-14-20(30)8-9-21(22)23/h4-9,14-17,30H,3,10-13H2,1-2H3
InChIKey LDHLMZQYRTZAFW-UHFFFAOYSA-N
Mol Weight 449.57 g/mol
Molecular Formula C24H27N5O2S
Exact Mass 449.188546 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ZQiUmd4BRi
Name 6-HYDROXY-3-{4-[4-(2-(1-METHYLPROPYL)-3-OXO-3,4-DIHYDRO-(2H)-1,2,4-TRIAZOL-4)-PHENYL]-PIPERAZIN-1-YL}-BENZO-[B]-THIOPHENE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H27N5O2S
InChI InChI=1S/C24H27N5O2S/c1-3-17(2)29-24(31)28(16-25-29)19-6-4-18(5-7-19)26-10-12-27(13-11-26)22-15-32-23-14-20(30)8-9-21(22)23/h4-9,14-17,30H,3,10-13H2,1-2H3
InChIKey LDHLMZQYRTZAFW-UHFFFAOYSA-N
Literature Reference Author J.BOLOS,S.GUBERT,L.ANGLADA,A.SACRISTAN,J.A.ORTIZ
Literature Reference Citation J.HETCYCL.CHEM.,34,1709(1997)
Literature Reference DOI 10.1002/jhet.5570340611
Molecular Weight 449.571 g/mol
Solvent CDCl3
Source File Reference UWSW500