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5-(1-ADAMANTYL)-4-(2,6-DIFLUOROBENZYLIDENEAMINO)-2-[4-(4-FLUOROPHENYL)-1-PIPERAZINYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID FxVNMWzaLSN
InChI InChI=1S/C30H33F3N6S/c31-23-4-6-24(7-5-23)37-10-8-36(9-11-37)19-38-29(40)39(34-18-25-26(32)2-1-3-27(25)33)28(35-38)30-15-20-12-21(16-30)14-22(13-20)17-30/h1-7,18,20-22H,8-17,19H2/b34-18+/t20-,21+,22-,30-
InChIKey PIFSLFKVTYFOHW-ZXVOEBGZSA-N
Mol Weight 566.7 g/mol
Molecular Formula C30H33F3N6S
Exact Mass 566.243951 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7h3tKxdIGuh
Name 5-(1-ADAMANTYL)-4-(2,6-DIFLUOROBENZYLIDENEAMINO)-2-[4-(4-FLUOROPHENYL)-1-PIPERAZINYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
Compound Number 7E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H33F3N6S
InChI InChI=1S/C30H33F3N6S/c31-23-4-6-24(7-5-23)37-10-8-36(9-11-37)19-38-29(40)39(34-18-25-26(32)2-1-3-27(25)33)28(35-38)30-15-20-12-21(16-30)14-22(13-20)17-30/h1-7,18,20-22H,8-17,19H2/b34-18+/t20-,21+,22-,30-
InChIKey PIFSLFKVTYFOHW-ZXVOEBGZSA-N
Literature Reference Author M.A.AL-OMAR,E.S.AL-ABDULLAH,I.A.SHEHATA,E.E.HABIB,T.M.IBRAHI M,A.A.EL-EMAM
Literature Reference Citation MOLECULES,15,2526(2010)
Literature Reference DOI 10.3390/molecules15042526
Molecular Weight 566.687 g/mol
Sample ID 70295
Solvent Unknown