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

View entire compound with spectra: 1 MS (GC)

1H-Isoindol-1-one, 6-azido-2,3,3a,4,5,6-hexahydro-5-hydroxy-4-phenyl-2-(phenylmethyl)-, (3a.alpha.,4.alpha.,5.beta.,6.alpha.)-
SpectraBase Compound ID 9thZiHj7lwa
InChI InChI=1S/C21H20N4O2/c22-24-23-18-11-16-17(19(20(18)26)15-9-5-2-6-10-15)13-25(21(16)27)12-14-7-3-1-4-8-14/h1-11,17-20,26H,12-13H2/t17-,18-,19+,20+/m1/s1
InChIKey PSPQYJVJXYBFEJ-ZRNYENFQSA-N
Mol Weight 360.42 g/mol
Molecular Formula C21H20N4O2
Exact Mass 360.158626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7R76VzPOqa0
Name 1H-Isoindol-1-one, 6-azido-2,3,3a,4,5,6-hexahydro-5-hydroxy-4-phenyl-2-(phenylmethyl)-, (3a.alpha.,4.alpha.,5.beta.,6.alpha.)-
CAS Registry Number 114431-46-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N4O2
InChI InChI=1S/C21H20N4O2/c22-24-23-18-11-16-17(19(20(18)26)15-9-5-2-6-10-15)13-25(21(16)27)12-14-7-3-1-4-8-14/h1-11,17-20,26H,12-13H2/t17-,18-,19+,20+/m1/s1
InChIKey PSPQYJVJXYBFEJ-ZRNYENFQSA-N
Molecular Weight 360.417 g/mol
SMILES O[C@]1([C@@](C=C2C(N(Cc3ccccc3)C[C@]2([C@@]1(c1ccccc1)[H])[H])=O)(N=[N+]=[N-])[H])[H]
SPLASH splash10-00kf-8009000000-0dff6b542ccd45d9087c
Source of Spectrum AJ-60-3265-13
Synonyms (3aS,4R,5R,6R)-6-azido-2-benzyl-5-hydroxy-4-phenyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-1-one 3a,4,5,6-tetrahydro-2-benzyl-4-phenyl-5-hydroxy-6-azido-1-isoindolinone
Wiley ID 1348410