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1H-Isoindol-1-one, 2,3,3a,4,5,6-hexahydro-5-hydroxy-2-phenyl-6-(1-pyrrolidinyl)-, (3a.alpha.,5.beta.,6.alpha.)-
SpectraBase Compound ID ADsRegW8EGy
InChI InChI=1S/C18H22N2O2/c21-17-10-13-12-20(14-6-2-1-3-7-14)18(22)15(13)11-16(17)19-8-4-5-9-19/h1-3,6-7,11,13,16-17,21H,4-5,8-10,12H2/t13-,16-,17-/m1/s1
InChIKey PIVBMVQVVVLDPY-KBRIMQKVSA-N
Mol Weight 298.39 g/mol
Molecular Formula C18H22N2O2
Exact Mass 298.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Q9KnKwnHc4
Name 1H-Isoindol-1-one, 2,3,3a,4,5,6-hexahydro-5-hydroxy-2-phenyl-6-(1-pyrrolidinyl)-, (3a.alpha.,5.beta.,6.alpha.)-
CAS Registry Number 114431-38-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O2
InChI InChI=1S/C18H22N2O2/c21-17-10-13-12-20(14-6-2-1-3-7-14)18(22)15(13)11-16(17)19-8-4-5-9-19/h1-3,6-7,11,13,16-17,21H,4-5,8-10,12H2/t13-,16-,17-/m1/s1
InChIKey PIVBMVQVVVLDPY-KBRIMQKVSA-N
Molecular Weight 298.386 g/mol
SMILES O[C@@]1(C[C@]2(C(C(N(C2)c2ccccc2)=O)=C[C@]1(N1CCCC1)[H])[H])[H]
SPLASH splash10-0udi-1090000000-89c5e103aba681eee076
Source of Spectrum AJ-60-3265-6
Synonyms (3aS,5R,6R)-5-hydroxy-2-phenyl-6-(1-pyrrolidinyl)-2,3,3a,4,5,6-hexahydro-1H-isoindol-1-one 3a,4,5,6-tetrahydro-2-phenyl-5-hydroxy-6-(tetrahydropyrrol-1-yl)-1-isoindolinone
Wiley ID 1301178