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1H-Isoindol-1-one, 2,3,3a,4,5,6-hexahydro-5-hydroxy-4-phenyl-2-(phenylmethyl)-6-(1-pyrrolidinyl)-, (3a.alpha.,4.alpha.,5.beta.,6.al pha.)-

View entire compound with spectra: 1 MS (GC)

1H-Isoindol-1-one, 2,3,3a,4,5,6-hexahydro-5-hydroxy-4-phenyl-2-(phenylmethyl)-6-(1-pyrrolidinyl)-, (3a.alpha.,4.alpha.,5.beta.,6.al pha.)-
SpectraBase Compound ID 4S0tNoRVZg0
InChI InChI=1S/C25H28N2O2/c28-24-22(26-13-7-8-14-26)15-20-21(23(24)19-11-5-2-6-12-19)17-27(25(20)29)16-18-9-3-1-4-10-18/h1-6,9-12,15,21-24,28H,7-8,13-14,16-17H2/t21-,22-,23+,24+/m1/s1
InChIKey ZGPWFTRJLIDYTK-LWSSLDFYSA-N
Mol Weight 388.51 g/mol
Molecular Formula C25H28N2O2
Exact Mass 388.215078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9gKhprhkxD
Name 1H-Isoindol-1-one, 2,3,3a,4,5,6-hexahydro-5-hydroxy-4-phenyl-2-(phenylmethyl)-6-(1-pyrrolidinyl)-, (3a.alpha.,4.alpha.,5.beta.,6.al pha.)-
Alternate Name(s) (3aS,4R,5R,6R)-2-benzyl-5-hydroxy-4-phenyl-6-(1-pyrrolidinyl)-2,3,3a,4,5,6-hexahydro-1H-isoindol-1-one 3a,4,5,6-tetrahydro-2-benzyl-4-phenyl-5-hydroxy-6-(tetrahydropyrrol-1-yl)-1-isoindolinone
CAS Registry Number 114431-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28N2O2
InChI InChI=1S/C25H28N2O2/c28-24-22(26-13-7-8-14-26)15-20-21(23(24)19-11-5-2-6-12-19)17-27(25(20)29)16-18-9-3-1-4-10-18/h1-6,9-12,15,21-24,28H,7-8,13-14,16-17H2/t21-,22-,23+,24+/m1/s1
InChIKey ZGPWFTRJLIDYTK-LWSSLDFYSA-N
Molecular Weight 388.511 g/mol
SMILES O[C@]1([C@@](C=C2C(N(Cc3ccccc3)C[C@]2([C@@]1(c1ccccc1)[H])[H])=O)(N1CCCC1)[H])[H]
SPLASH splash10-016u-5890000000-a3e2b494d8eabe583a05
Source of Spectrum AJ-60-3265-6
Wiley ID 1364102