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6-METHOXY-3-{4-[4-(3-OXO-3,4-DIHYDRO-(2H)-1,2,4-TRIAZOL-4)-PHENYL]-PIPERAZIN-1-YL}-BENZO-[B]-THIOPHENE
SpectraBase Compound ID 3q71uLsISgh
InChI InChI=1S/C21H21N5O2S/c1-28-17-6-7-18-19(13-29-20(18)12-17)25-10-8-24(9-11-25)15-2-4-16(5-3-15)26-14-22-23-21(26)27/h2-7,12-14H,8-11H2,1H3,(H,23,27)
InChIKey VWPBVLFMNFCIAF-UHFFFAOYSA-N
Mol Weight 407.49 g/mol
Molecular Formula C21H21N5O2S
Exact Mass 407.141596 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GFU36SWqq2X
Name 6-METHOXY-3-{4-[4-(3-OXO-3,4-DIHYDRO-(2H)-1,2,4-TRIAZOL-4)-PHENYL]-PIPERAZIN-1-YL}-BENZO-[B]-THIOPHENE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21N5O2S
InChI InChI=1S/C21H21N5O2S/c1-28-17-6-7-18-19(13-29-20(18)12-17)25-10-8-24(9-11-25)15-2-4-16(5-3-15)26-14-22-23-21(26)27/h2-7,12-14H,8-11H2,1H3,(H,23,27)
InChIKey VWPBVLFMNFCIAF-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 407.490 g/mol
Solvent DMSO-D6
Source File Reference UWSW498