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3a,7a-Propano-1H-isoindole-1,3(2H)-dione, tetrahydro-2-phenyl-
SpectraBase Compound ID GuE00QHSj80
InChI InChI=1S/C17H19NO2/c19-14-16-9-4-5-10-17(16,12-6-11-16)15(20)18(14)13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2/t16-,17+
InChIKey AYOVHRMWBZPGCU-CALCHBBNSA-N
Mol Weight 269.34 g/mol
Molecular Formula C17H19NO2
Exact Mass 269.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID aUL9a8SLR5
Name 3a,7a-Propano-1H-isoindole-1,3(2H)-dione, tetrahydro-2-phenyl-
Alternate Name(s) 8-phenyl-8-azatricyclo[4.3.3.0(1,6)]dodecane-7,9-dione Tetrahydro-2-phenyl-3a,7a-propano-1H-isindole-1,3(2H)-dione
CAS Registry Number 83248-61-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO2
InChI InChI=1S/C17H19NO2/c19-14-16-9-4-5-10-17(16,12-6-11-16)15(20)18(14)13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2/t16-,17+
InChIKey AYOVHRMWBZPGCU-CALCHBBNSA-N
Molecular Weight 269.344 g/mol
SMILES C1(N(C([C@]23CCC[C@]12CCCC3)=O)c1ccccc1)=O
SPLASH splash10-00xr-0890000000-78b59748332b3d513460
Source of Spectrum J-47-4735-0
Wiley ID 1273378