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3H-Oxireno[f]isoindol-3-one, 1a,4,5,5a,6,6a-hexahydro-6-phenyl-4-(phenylmethyl)-, (1a.alpha.,5a.alpha.,6.alpha.,6a.alpha.)-
SpectraBase Compound ID 87jkhmKrS7r
InChI InChI=1S/C21H19NO2/c23-21-16-11-18-20(24-18)19(15-9-5-2-6-10-15)17(16)13-22(21)12-14-7-3-1-4-8-14/h1-11,17-20H,12-13H2
InChIKey YTQAMAHBZIJPNQ-UHFFFAOYSA-N
Mol Weight 317.39 g/mol
Molecular Formula C21H19NO2
Exact Mass 317.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JGPnyC8wYy
Name 3H-Oxireno[f]isoindol-3-one, 1a,4,5,5a,6,6a-hexahydro-6-phenyl-4-(phenylmethyl)-, (1a.alpha.,5a.alpha.,6.alpha.,6a.alpha.)-
CAS Registry Number 114431-34-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO2
InChI InChI=1S/C21H19NO2/c23-21-16-11-18-20(24-18)19(15-9-5-2-6-10-15)17(16)13-22(21)12-14-7-3-1-4-8-14/h1-11,17-20H,12-13H2
InChIKey YTQAMAHBZIJPNQ-UHFFFAOYSA-N
Molecular Weight 317.388 g/mol
SMILES C1=2C(N(Cc3ccccc3)CC1C(c1ccccc1)C1C(O1)C2)=O
SPLASH splash10-00kf-9005000000-35b8442a5271bac88459
Source of Spectrum AJ-60-3264-2
Synonyms 3a,4,5,6-tetrahydro-1-oxo-2-benzyl-4-phenylisoindolin-5,6-epoxide 4-benzyl-6-phenyl-1a,4,5,5a,6,6a-hexahydro-3H-oxireno[2,3-f]isoindol-3-one
Wiley ID 1317869