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1H-Isoindol-1-one, 2,3,3a,4,5,6-hexahydro-5-hydroxy-4-methyl-2-(phenylmethyl)-6-[(phenylmethyl)amino]-, (3a.alpha.,4.alpha.,5.beta.,6.alpha.)-
SpectraBase Compound ID DFeTSdk0p9o
InChI InChI=1S/C23H26N2O2/c1-16-20-15-25(14-18-10-6-3-7-11-18)23(27)19(20)12-21(22(16)26)24-13-17-8-4-2-5-9-17/h2-12,16,20-22,24,26H,13-15H2,1H3/t16-,20-,21+,22+/m0/s1
InChIKey OYQAMZHEZJBXGN-FBEWHJACSA-N
Mol Weight 362.47 g/mol
Molecular Formula C23H26N2O2
Exact Mass 362.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyTZAfYxiCB
Name 1H-Isoindol-1-one, 2,3,3a,4,5,6-hexahydro-5-hydroxy-4-methyl-2-(phenylmethyl)-6-[(phenylmethyl)amino]-, (3a.alpha.,4.alpha.,5.beta.,6.alpha.)-
CAS Registry Number 114431-36-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O2
InChI InChI=1S/C23H26N2O2/c1-16-20-15-25(14-18-10-6-3-7-11-18)23(27)19(20)12-21(22(16)26)24-13-17-8-4-2-5-9-17/h2-12,16,20-22,24,26H,13-15H2,1H3/t16-,20-,21+,22+/m0/s1
InChIKey OYQAMZHEZJBXGN-FBEWHJACSA-N
Molecular Weight 362.473 g/mol
SMILES N([C@]1([C@@]([C@]([C@@]2(CN(C(C2=C1)=O)Cc1ccccc1)[H])(C)[H])(O)[H])[H])Cc1ccccc1
SPLASH splash10-0f6x-9036000000-16ab84b5beb696aa2026
Source of Spectrum AJ-60-3264-5
Synonyms (3aS,4S,5R,6R)-2-benzyl-6-(benzylamino)-5-hydroxy-4-methyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-1-one 3a,4,5,6-tetrahydro-2-benzyl-4-methyl-5-hydroxy-6-benzylamino-1-isoindolinone
Wiley ID 1349956