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(ENDO)-(5R*,5AR*,8AS*)-2-(METHYLAMINO)-5-(4-METHOXYPHENYL)-7-PHENYL-4,5,5A,8A-TETRAHYDROPYROLO-[3,4-G]-BENZOTHIAZOLE-6,8-DIONE
SpectraBase Compound ID BcTnpePJKWf
InChI InChI=1S/C23H21N3O3S/c1-24-23-25-17-12-16(13-8-10-15(29-2)11-9-13)18-19(20(17)30-23)22(28)26(21(18)27)14-6-4-3-5-7-14/h3-11,16,18-19H,12H2,1-2H3,(H,24,25)/t16-,18+,19+/m0/s1
InChIKey ZMSKZNYDLXKSCW-QXAKKESOSA-N
Mol Weight 419.5 g/mol
Molecular Formula C23H21N3O3S
Exact Mass 419.130363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJOzqvfDGiE
Name (ENDO)-(5R*,5AR*,8AS*)-2-(METHYLAMINO)-5-(4-METHOXYPHENYL)-7-PHENYL-4,5,5A,8A-TETRAHYDROPYROLO-[3,4-G]-BENZOTHIAZOLE-6,8-DIONE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H21N3O3S
InChI InChI=1S/C23H21N3O3S/c1-24-23-25-17-12-16(13-8-10-15(29-2)11-9-13)18-19(20(17)30-23)22(28)26(21(18)27)14-6-4-3-5-7-14/h3-11,16,18-19H,12H2,1-2H3,(H,24,25)/t16-,18+,19+/m0/s1
InChIKey ZMSKZNYDLXKSCW-QXAKKESOSA-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 419.498 g/mol
Solvent CDCl3
Source File Reference UWBT18275