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5-(1-ADAMANTYL)-4-(2,6-DICHLOROBENZYLIDENEAMINO)-2-[4-(4-FLUOROPHENYL)-1-PIPERAZINYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID Eutf6N4mZmq
InChI InChI=1S/C30H33Cl2FN6S/c31-26-2-1-3-27(32)25(26)18-34-39-28(30-15-20-12-21(16-30)14-22(13-20)17-30)35-38(29(39)40)19-36-8-10-37(11-9-36)24-6-4-23(33)5-7-24/h1-7,18,20-22H,8-17,19H2/b34-18+/t20-,21+,22-,30-
InChIKey NRUVZECWJWWPSP-ZXVOEBGZSA-N
Mol Weight 599.6 g/mol
Molecular Formula C30H33Cl2FN6S
Exact Mass 598.18485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2RWqxKEE3Hz
Name 5-(1-ADAMANTYL)-4-(2,6-DICHLOROBENZYLIDENEAMINO)-2-[4-(4-FLUOROPHENYL)-1-PIPERAZINYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
Compound Number 7M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H33Cl2FN6S
InChI InChI=1S/C30H33Cl2FN6S/c31-26-2-1-3-27(32)25(26)18-34-39-28(30-15-20-12-21(16-30)14-22(13-20)17-30)35-38(29(39)40)19-36-8-10-37(11-9-36)24-6-4-23(33)5-7-24/h1-7,18,20-22H,8-17,19H2/b34-18+/t20-,21+,22-,30-
InChIKey NRUVZECWJWWPSP-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 599.597 g/mol
Sample ID 70303
Solvent Unknown