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1H-Isoindole-1,3(2H)-dione, 2-[[2-(phenylthio)cyclohexyl]amino]-, trans-
SpectraBase Compound ID KLFUP592LZh
InChI InChI=1S/C20H20N2O2S/c23-19-15-10-4-5-11-16(15)20(24)22(19)21-17-12-6-7-13-18(17)25-14-8-2-1-3-9-14/h1-5,8-11,17-18,21H,6-7,12-13H2/t17-,18-/m1/s1
InChIKey JHKOTQMMACIFDP-QZTJIDSGSA-N
Mol Weight 352.45 g/mol
Molecular Formula C20H20N2O2S
Exact Mass 352.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ER0SXotvXxe
Name 1H-Isoindole-1,3(2H)-dione, 2-[[2-(phenylthio)cyclohexyl]amino]-, trans-
CAS Registry Number 96185-64-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O2S
InChI InChI=1S/C20H20N2O2S/c23-19-15-10-4-5-11-16(15)20(24)22(19)21-17-12-6-7-13-18(17)25-14-8-2-1-3-9-14/h1-5,8-11,17-18,21H,6-7,12-13H2/t17-,18-/m1/s1
InChIKey JHKOTQMMACIFDP-QZTJIDSGSA-N
Molecular Weight 352.452 g/mol
SMILES N(N1C(c2ccccc2C1=O)=O)[C@]1([C@](Sc2ccccc2)(CCCC1)[H])[H]
SPLASH splash10-000x-5910000000-a6559edc12c13467d2b6
Source of Spectrum H-68-224-6
Synonyms 2-{[(1R,2R)-2-(phenylsulfanyl)cyclohexyl]amino}-1H-isoindole-1,3(2H)-dione N'-(trans-2-(phenylthio)cyclohexyl)phthalohydrazid
Wiley ID 1343266