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(3S)-3-(Benzenesulfonyl)-2-((S)-2-methoxymethylpyrrolidin-1-yl)-2,3-dihydro-1H-isoindol-1-one
SpectraBase Compound ID C539wpTE83r
InChI InChI=1S/C20H22N2O4S/c1-26-14-15-8-7-13-21(15)22-19(23)17-11-5-6-12-18(17)20(22)27(24,25)16-9-3-2-4-10-16/h2-6,9-12,15,20H,7-8,13-14H2,1H3/t15-,20-/m0/s1
InChIKey XBSBMJLWCYUXFL-YWZLYKJASA-N
Mol Weight 386.47 g/mol
Molecular Formula C20H22N2O4S
Exact Mass 386.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nO3GmoC61L
Name (3S)-3-(Benzenesulfonyl)-2-((S)-2-methoxymethylpyrrolidin-1-yl)-2,3-dihydro-1H-isoindol-1-one
Alternate Name(s) (2S,3S)-3-(Benzenesulfonyl)-2-(2-methoxymethylpyrrolidin-1-yl)-2,3-dihydro-1H-isoindol-1-one (3S)-2-[(2S)-2-(methoxymethyl)pyrrolidinyl]-3-(phenylsulfonyl)-2,3-dihydro-1H-isoindol-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O4S
InChI InChI=1S/C20H22N2O4S/c1-26-14-15-8-7-13-21(15)22-19(23)17-11-5-6-12-18(17)20(22)27(24,25)16-9-3-2-4-10-16/h2-6,9-12,15,20H,7-8,13-14H2,1H3/t15-,20-/m0/s1
InChIKey XBSBMJLWCYUXFL-YWZLYKJASA-N
Molecular Weight 386.466 g/mol
SMILES [C@@]1(N(C(c2ccccc12)=O)N1[C@](COC)(CCC1)[H])(S(=O)(=O)c1ccccc1)[H]
SPLASH splash10-03dj-0090000000-f644809cb6dfa911239f
Source of Spectrum KD-16-878-6
Wiley ID 1637477