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(3S)-2-((S)-2-Methoxymethylpyrrolidin-1-yl)-3-(toluene-4-sulfonyl)-2,3-dihydro-1H-isoindol-1-one
SpectraBase Compound ID Kphnel57Ig5
InChI InChI=1S/C21H24N2O4S/c1-15-9-11-17(12-10-15)28(25,26)21-19-8-4-3-7-18(19)20(24)23(21)22-13-5-6-16(22)14-27-2/h3-4,7-12,16,21H,5-6,13-14H2,1-2H3/t16-,21-/m0/s1
InChIKey LPAPJUUGOXPZJW-KKSFZXQISA-N
Mol Weight 400.49 g/mol
Molecular Formula C21H24N2O4S
Exact Mass 400.145678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GIFLetu6zsI
Name (3S)-2-((S)-2-Methoxymethylpyrrolidin-1-yl)-3-(toluene-4-sulfonyl)-2,3-dihydro-1H-isoindol-1-one
Alternate Name(s) (2S,3S)-2-(2-Methoxymethylpyrrolidin-1-yl)-3-(toluene-4-sulfonyl)-2,3-dihydro-1H-isoindol-1-one (3S)-2-[(2S)-2-(methoxymethyl)pyrrolidinyl]-3-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1H-isoindol-1-one
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Formula C21H24N2O4S
InChI InChI=1S/C21H24N2O4S/c1-15-9-11-17(12-10-15)28(25,26)21-19-8-4-3-7-18(19)20(24)23(21)22-13-5-6-16(22)14-27-2/h3-4,7-12,16,21H,5-6,13-14H2,1-2H3/t16-,21-/m0/s1
InChIKey LPAPJUUGOXPZJW-KKSFZXQISA-N
Molecular Weight 400.493 g/mol
SMILES [C@@]1(N(C(c2ccccc12)=O)N1[C@](COC)(CCC1)[H])(S(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-03dk-0090000000-6e4a036f1f57c56a12fe
Source of Spectrum KD-16-878-6
Wiley ID 1637476