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(3aS,7aR)-3a-phenyl-1,3,7,7a-tetrahydroindole-2,6-dione
SpectraBase Compound ID L4J2LIzFxmG
InChI InChI=1S/C14H13NO2/c16-11-6-7-14(10-4-2-1-3-5-10)9-13(17)15-12(14)8-11/h1-7,12H,8-9H2,(H,15,17)/t12-,14-/m1/s1
InChIKey FXMGUQNPBUMXDM-TZMCWYRMSA-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 Gf6UoW7QXnP
Name (3aS,7aR)-3a-phenyl-1,3,7,7a-tetrahydroindole-2,6-dione
Alternate Name(s) (3aS,7aR)-3a-phenyl-1,3,7,7a-tetrahydroindole-2,6-quinone
CAS Registry Number 86983-21-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO2
InChI InChI=1S/C14H13NO2/c16-11-6-7-14(10-4-2-1-3-5-10)9-13(17)15-12(14)8-11/h1-7,12H,8-9H2,(H,15,17)/t12-,14-/m1/s1
InChIKey FXMGUQNPBUMXDM-TZMCWYRMSA-N
Molecular Weight 227.263 g/mol
SMILES N1C(C[C@@]2([C@]1(CC(C=C2)=O)[H])c1ccccc1)=O
SPLASH splash10-056r-2910000000-ba603b004d81ec7cc649
Source of Spectrum H-66-777-0
Wiley ID 1228713