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1-(1-ADAMANTYL)-3,4-DIPHENYL-1,2,4-TRIAZOL-5-THIONE
SpectraBase Compound ID 9WwQqww8f0v
InChI InChI=1S/C24H25N3S/c28-23-26(21-9-5-2-6-10-21)22(20-7-3-1-4-8-20)25-27(23)24-14-17-11-18(15-24)13-19(12-17)16-24/h1-10,17-19H,11-16H2/t17-,18+,19-,24-
InChIKey BDZHGQBYVMCWLW-PCFUMONKSA-N
Mol Weight 387.55 g/mol
Molecular Formula C24H25N3S
Exact Mass 387.176919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6mD7Cf5QY1a
Name 1-(1-ADAMANTYL)-3,4-DIPHENYL-1,2,4-TRIAZOL-5-THIONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H25N3S
InChI InChI=1S/C24H25N3S/c28-23-26(21-9-5-2-6-10-21)22(20-7-3-1-4-8-20)25-27(23)24-14-17-11-18(15-24)13-19(12-17)16-24/h1-10,17-19H,11-16H2/t17-,18+,19-,24-
InChIKey BDZHGQBYVMCWLW-PCFUMONKSA-N
Literature Reference Author N.I.KOROTKIKH,G.F.RAYENKO,O.P.SHAIKA,T.M.PEKHTEREVA,A.H.COWL EY,J.N.JONES,C.L.B.M
Literature Reference Citation J.ORG.CHEM.,68,5762(2003)
Literature Reference DOI 10.1021/jo034234n
Molecular Weight 387.543 g/mol
Solvent CDCl3
Source File Reference UWLU24294