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2-(((1S,2S)-2-acetyl-2-phenylcyclohexyl)amino)isoindoline-1,3-dione
SpectraBase Compound ID KHqAJ4DJltU
InChI InChI=1S/C22H22N2O3/c1-15(25)22(16-9-3-2-4-10-16)14-8-7-13-19(22)23-24-20(26)17-11-5-6-12-18(17)21(24)27/h2-6,9-12,19,23H,7-8,13-14H2,1H3/t19-,22-/m0/s1
InChIKey VQFCDMYJDWHTAS-UGKGYDQZSA-N
Mol Weight 362.43 g/mol
Molecular Formula C22H22N2O3
Exact Mass 362.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2v0LIpuQBNm
Name 2-(((1S,2S)-2-acetyl-2-phenylcyclohexyl)amino)isoindoline-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O3
InChI InChI=1S/C22H22N2O3/c1-15(25)22(16-9-3-2-4-10-16)14-8-7-13-19(22)23-24-20(26)17-11-5-6-12-18(17)21(24)27/h2-6,9-12,19,23H,7-8,13-14H2,1H3/t19-,22-/m0/s1
InChIKey VQFCDMYJDWHTAS-UGKGYDQZSA-N
Literature Reference DOI 10.1021/ol802005n
Molecular Weight 362.429 g/mol
SMILES N([C@]1(CCCC[C@]1(C(C)=O)c1ccccc1)[H])N1C(c2c(C1=O)cccc2)=O
SPLASH splash10-0fbd-9600000000-c7201a351fd4f8e48dda
Source of Spectrum A1-10-4943/SMS3-3a
Wiley ID 1759999