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1H-Isoindole-1,3(2H)-dione, 2-[[1-methyl-2-(phenylthio)propyl]amino]-, (R*,S*)-
SpectraBase Compound ID IZFFi4owLwS
InChI InChI=1S/C18H18N2O2S/c1-12(13(2)23-14-8-4-3-5-9-14)19-20-17(21)15-10-6-7-11-16(15)18(20)22/h3-13,19H,1-2H3/t12-,13+/m0/s1
InChIKey BKMLPWBBAVZYBW-QWHCGFSZSA-N
Mol Weight 326.41 g/mol
Molecular Formula C18H18N2O2S
Exact Mass 326.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lhu0TdOMeLY
Name 1H-Isoindole-1,3(2H)-dione, 2-[[1-methyl-2-(phenylthio)propyl]amino]-, (R*,S*)-
Alternate Name(s) 2-{[(1S,2R)-1-methyl-2-(phenylsulfanyl)propyl]amino}-1H-isoindole-1,3(2H)-dione N'-((2RS,3SR)-3-phenylthino-2-butanyl)phthaiohydrazid
CAS Registry Number 96185-63-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O2S
InChI InChI=1S/C18H18N2O2S/c1-12(13(2)23-14-8-4-3-5-9-14)19-20-17(21)15-10-6-7-11-16(15)18(20)22/h3-13,19H,1-2H3/t12-,13+/m0/s1
InChIKey BKMLPWBBAVZYBW-QWHCGFSZSA-N
Molecular Weight 326.414 g/mol
SMILES N(N1C(c2ccccc2C1=O)=O)[C@]([C@](Sc1ccccc1)(C)[H])(C)[H]
SPLASH splash10-000i-1900000000-b90f2e6baae7558aea6d
Source of Spectrum H-68-224-5
Wiley ID 1324744