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(3S,3aR,7aS)-2,3-bis(benzyl)-7a-phenylsulfonyl-3,3a,6,7-tetrahydro-1H-isoindole
SpectraBase Compound ID 8loIpzOqG5a
InChI InChI=1S/C28H29NO2S/c30-32(31,25-16-8-3-9-17-25)28-19-11-10-18-26(28)27(20-23-12-4-1-5-13-23)29(22-28)21-24-14-6-2-7-15-24/h1-10,12-18,26-27H,11,19-22H2/t26-,27+,28-/m1/s1
InChIKey YUJIOVLYKXSNCJ-OZNIXHKMSA-N
Mol Weight 443.61 g/mol
Molecular Formula C28H29NO2S
Exact Mass 443.1919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9h5cUD7y4Bn
Name (3S,3aR,7aS)-2,3-bis(benzyl)-7a-phenylsulfonyl-3,3a,6,7-tetrahydro-1H-isoindole
Compound Number CIS-ALPHA-22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H29NO2S
InChI InChI=1S/C28H29NO2S/c30-32(31,25-16-8-3-9-17-25)28-19-11-10-18-26(28)27(20-23-12-4-1-5-13-23)29(22-28)21-24-14-6-2-7-15-24/h1-10,12-18,26-27H,11,19-22H2/t26-,27+,28-/m1/s1
InChIKey YUJIOVLYKXSNCJ-OZNIXHKMSA-N
Literature Reference Author H.TAKEUCHI,T.FUJIMOTO,K.HOSHINO,J.MOTOYOSHIYA,A.KAKEHI,I.YAM AMOTO
Literature Reference Citation J.ORG.CHEM.,63,7172(1998)
Literature Reference DOI 10.1021/jo980181b
Molecular Weight 443.604 g/mol
Sample ID 26014
Solvent CDCl3