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(S)-1,3-Diphenyl-3,3a,5,6,7,7a-hexahydro-isoindol-4-one
SpectraBase Compound ID 7XXKL1lrAjj
InChI InChI=1S/C20H19NO/c22-17-13-7-12-16-18(17)20(15-10-5-2-6-11-15)21-19(16)14-8-3-1-4-9-14/h1-6,8-11,16,18,20H,7,12-13H2/t16?,18?,20-/m1/s1
InChIKey OTXJWOCBHQCWDH-OUNSHVDWSA-N
Mol Weight 289.38 g/mol
Molecular Formula C20H19NO
Exact Mass 289.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AR36s80OtWm
Name (S)-1,3-Diphenyl-3,3a,5,6,7,7a-hexahydro-isoindol-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NO
InChI InChI=1S/C20H19NO/c22-17-13-7-12-16-18(17)20(15-10-5-2-6-11-15)21-19(16)14-8-3-1-4-9-14/h1-6,8-11,16,18,20H,7,12-13H2/t16?,18?,20-/m1/s1
InChIKey OTXJWOCBHQCWDH-OUNSHVDWSA-N
Molecular Weight 289.378 g/mol
SMILES C1(=N[C@@](C2C(CCCC12)=O)(c1ccccc1)[H])c1ccccc1
SPLASH splash10-0006-0790000000-a3fcf9fb5e664b42ba68
Source of Spectrum SO-0-864-11
Synonyms (3S)-1,3-diphenyl-3,3a,5,6,7,7a-hexahydro-4H-isoindol-4-one 1,3a,4,5,7,7a-Hexahydro-1,3-diphenylbenzo[c]pyrrole
Wiley ID 1542651