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2-(((3-Oxo-3-(thiophen-2-yl)propyl)(phenyl)amino)methyl)isoindoline-1,3-dione
SpectraBase Compound ID JcThHnRnXj5
InChI InChI=1S/C22H18N2O3S/c25-19(20-11-6-14-28-20)12-13-23(16-7-2-1-3-8-16)15-24-21(26)17-9-4-5-10-18(17)22(24)27/h1-11,14H,12-13,15H2
InChIKey CUAQYTMZUBBDHH-UHFFFAOYSA-N
Mol Weight 390.46 g/mol
Molecular Formula C22H18N2O3S
Exact Mass 390.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3O8LqhYC2ze
Name 2-(((3-Oxo-3-(thiophen-2-yl)propyl)(phenyl)amino)methyl)isoindoline-1,3-dione
Appearance White powder
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Formula C22H18N2O3S
InChI InChI=1S/C22H18N2O3S/c25-19(20-11-6-14-28-20)12-13-23(16-7-2-1-3-8-16)15-24-21(26)17-9-4-5-10-18(17)22(24)27/h1-11,14H,12-13,15H2
InChIKey CUAQYTMZUBBDHH-UHFFFAOYSA-N
Instrument Name Shimadzu QP-1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3784
Molecular Weight 390.457 g/mol
SMILES C(=O)(CCN(c1ccccc1)CN1C(c2c(C1=O)cccc2)=O)c1sccc1
SPLASH splash10-03di-0920000000-120981aa3dea10d34445
Source of Spectrum Y-57-353-17d
Wiley ID 1859792