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2-Benzyl-2,3,3a,4,5,6,7,7a-Octahydro-1-oxo-3-(p-tolyl)-1H-isoindole
SpectraBase Compound ID xIEgYCuGFm
InChI InChI=1S/C22H25NO/c1-16-11-13-18(14-12-16)21-19-9-5-6-10-20(19)22(24)23(21)15-17-7-3-2-4-8-17/h2-4,7-8,11-14,19-21H,5-6,9-10,15H2,1H3/t19-,20+,21-/m1/s1
InChIKey BBVQYLYCVNFOJJ-QHAWAJNXSA-N
Mol Weight 319.45 g/mol
Molecular Formula C22H25NO
Exact Mass 319.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KyK11QcD50Z
Name 2-Benzyl-2,3,3a,4,5,6,7,7a-Octahydro-1-oxo-3-(p-tolyl)-1H-isoindole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO
InChI InChI=1S/C22H25NO/c1-16-11-13-18(14-12-16)21-19-9-5-6-10-20(19)22(24)23(21)15-17-7-3-2-4-8-17/h2-4,7-8,11-14,19-21H,5-6,9-10,15H2,1H3/t19-,20+,21-/m1/s1
InChIKey BBVQYLYCVNFOJJ-QHAWAJNXSA-N
Molecular Weight 319.448 g/mol
SMILES C1(N([C@@]([C@@]2(CCCC[C@]12[H])[H])(c1ccc(cc1)C)[H])Cc1ccccc1)=O
SPLASH splash10-0006-9032000000-201a5a0315edaf2510cb
Source of Spectrum H1-36-1820-4
Synonyms (3S,3aR,7aS)-2-Benzyl-3-p-tolyl-octahydro-isoindol-1-one 2-Benzyl-3-(4-methylphenyl)octahydro-1H-isoindol-1-one
Wiley ID 755257