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2-Benzyl-3-cyclohexenylisoindolin-1-one
SpectraBase Compound ID 65Vr7re3OBJ
InChI InChI=1S/C21H21NO/c23-21-19-14-8-7-13-18(19)20(17-11-5-2-6-12-17)22(21)15-16-9-3-1-4-10-16/h1,3-4,7-11,13-14,20H,2,5-6,12,15H2
InChIKey CHDZHEWQNPUOMN-UHFFFAOYSA-N
Mol Weight 303.41 g/mol
Molecular Formula C21H21NO
Exact Mass 303.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6r3HC8bpgX5
Name 2-Benzyl-3-cyclohexenylisoindolin-1-one
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO
InChI InChI=1S/C21H21NO/c23-21-19-14-8-7-13-18(19)20(17-11-5-2-6-12-17)22(21)15-16-9-3-1-4-10-16/h1,3-4,7-11,13-14,20H,2,5-6,12,15H2
InChIKey CHDZHEWQNPUOMN-UHFFFAOYSA-N
Instrument Name HP 5988 A
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.21
Molecular Weight 303.405 g/mol
Reported Formula C21H21NO
SMILES c1cc2c(cc1)C(N(C2=O)Cc1ccccc1)C1=CCCCC1
SPLASH splash10-0007-9814000000-26e4d24fc130f97c8694
Source of Spectrum BJO-8-199-3d
Wiley ID 1867303