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(ENDO)-(5R*,5AR*,8AS*)-5-(4-METHYLPHENYL)-7-PHENYL-2-(PHENYLAMINO)-4,5,5A,8A-TETRAHYDROPYROLO-[3,4-G]-BENZOTHIAZOLE-6,8-DIONE
SpectraBase Compound ID KcPvVpAEdFI
InChI InChI=1S/C28H23N3O2S/c1-17-12-14-18(15-13-17)21-16-22-25(34-28(30-22)29-19-8-4-2-5-9-19)24-23(21)26(32)31(27(24)33)20-10-6-3-7-11-20/h2-15,21,23-24H,16H2,1H3,(H,29,30)/t21-,23+,24+/m0/s1
InChIKey RIAXTOABDPWVNG-QPTUXGOLSA-N
Mol Weight 465.57 g/mol
Molecular Formula C28H23N3O2S
Exact Mass 465.151098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FBRArfDorHi
Name (ENDO)-(5R*,5AR*,8AS*)-5-(4-METHYLPHENYL)-7-PHENYL-2-(PHENYLAMINO)-4,5,5A,8A-TETRAHYDROPYROLO-[3,4-G]-BENZOTHIAZOLE-6,8-DIONE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H23N3O2S
InChI InChI=1S/C28H23N3O2S/c1-17-12-14-18(15-13-17)21-16-22-25(34-28(30-22)29-19-8-4-2-5-9-19)24-23(21)26(32)31(27(24)33)20-10-6-3-7-11-20/h2-15,21,23-24H,16H2,1H3,(H,29,30)/t21-,23+,24+/m0/s1
InChIKey RIAXTOABDPWVNG-QPTUXGOLSA-N
Literature Reference Author M.ALAJARIN,J.CABRERA,P.SANCHEZ-ANDRADA,R.A.ORENES,A.PASTOR
Literature Reference Citation EUR.J.ORG.CHEM.,2013,474(2013)
Literature Reference DOI 10.1002/ejoc.201201185
Molecular Weight 465.570 g/mol
Solvent CDCl3
Source File Reference UWBT18273