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3H-Oxireno[f]isoindol-3-one, 1a,4,5,5a,6,6a-hexahydro-4-phenyl-, (1a.alpha.,5a.alpha.,6a.alpha.)-
SpectraBase Compound ID KD1EgjsnDBP
InChI InChI=1S/C14H13NO2/c16-14-11-7-13-12(17-13)6-9(11)8-15(14)10-4-2-1-3-5-10/h1-5,7,9,12-13H,6,8H2
InChIKey BJIFVCLNSZJYLB-UHFFFAOYSA-N
Mol Weight 227.26 g/mol
Molecular Formula C14H13NO2
Exact Mass 227.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9nZU9lIWXBx
Name 3H-Oxireno[f]isoindol-3-one, 1a,4,5,5a,6,6a-hexahydro-4-phenyl-, (1a.alpha.,5a.alpha.,6a.alpha.)-
CAS Registry Number 114431-32-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO2
InChI InChI=1S/C14H13NO2/c16-14-11-7-13-12(17-13)6-9(11)8-15(14)10-4-2-1-3-5-10/h1-5,7,9,12-13H,6,8H2
InChIKey BJIFVCLNSZJYLB-UHFFFAOYSA-N
Molecular Weight 227.263 g/mol
SMILES C1(C2=CC3OC3CC2CN1c1ccccc1)=O
SPLASH splash10-004i-5090000000-65e164eb9692a225df10
Source of Spectrum AJ-60-3264-2
Synonyms 3a,4,5,6-tetrahydro-1-oxo-2-phenylisoindolin-5,6-epoxide 4-phenyl-1a,4,5,5a,6,6a-hexahydro-3H-oxireno[2,3-f]isoindol-3-one
Wiley ID 1228745