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1H-Isoindol-1-one, 6-azido-2,3,3a,4,5,6-hexahydro-5-hydroxy-2-phenyl-, (3a.alpha.,5.beta.,6.alpha.)-
SpectraBase Compound ID 1qRfWxSmmVb
InChI InChI=1S/C14H14N4O2/c15-17-16-12-7-11-9(6-13(12)19)8-18(14(11)20)10-4-2-1-3-5-10/h1-5,7,9,12-13,19H,6,8H2/t9-,12-,13-/m1/s1
InChIKey AQFZLCSWYNMEQM-OASPWFOLSA-N
Mol Weight 270.29 g/mol
Molecular Formula C14H14N4O2
Exact Mass 270.111676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4g3mnnckV7
Name 1H-Isoindol-1-one, 6-azido-2,3,3a,4,5,6-hexahydro-5-hydroxy-2-phenyl-, (3a.alpha.,5.beta.,6.alpha.)-
CAS Registry Number 114431-44-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N4O2
InChI InChI=1S/C14H14N4O2/c15-17-16-12-7-11-9(6-13(12)19)8-18(14(11)20)10-4-2-1-3-5-10/h1-5,7,9,12-13,19H,6,8H2/t9-,12-,13-/m1/s1
InChIKey AQFZLCSWYNMEQM-OASPWFOLSA-N
Molecular Weight 270.292 g/mol
SMILES O[C@@]1(C[C@]2(C(C(N(C2)c2ccccc2)=O)=C[C@]1(N=[N+]=[N-])[H])[H])[H]
SPLASH splash10-00b9-6090000000-4978b3e0e739c018c8bd
Source of Spectrum AJ-60-3265-13
Synonyms (3aS,5R,6R)-6-azido-5-hydroxy-2-phenyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-1-one 3a,4,5,6-tetrahydro-2-phenyl-5-hydroxy-6-azido-1-isoindolinone
Wiley ID 1273975