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Methyl 6-(benzylthio)-3-(1',3'-dioxo-1',3'-dihydro-2H-isoindol-2'-yl)-hexanoate
SpectraBase Compound ID 8nW7ikhyWR9
InChI InChI=1S/C22H23NO4S/c1-27-20(24)14-17(10-7-13-28-15-16-8-3-2-4-9-16)23-21(25)18-11-5-6-12-19(18)22(23)26/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3
InChIKey YKBYWPDSPJBRTK-UHFFFAOYSA-N
Mol Weight 397.49 g/mol
Molecular Formula C22H23NO4S
Exact Mass 397.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vC1c2bxNTc
Name Methyl 6-(benzylthio)-3-(1',3'-dioxo-1',3'-dihydro-2H-isoindol-2'-yl)-hexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO4S
InChI InChI=1S/C22H23NO4S/c1-27-20(24)14-17(10-7-13-28-15-16-8-3-2-4-9-16)23-21(25)18-11-5-6-12-19(18)22(23)26/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3
InChIKey YKBYWPDSPJBRTK-UHFFFAOYSA-N
Molecular Weight 397.489 g/mol
SMILES C1(N(C(c2ccccc12)=O)C(CC(=O)OC)CCCSCc1ccccc1)=O
SPLASH splash10-056u-7925000000-fe8291d5c6fb4b3586e3
Source of Spectrum QE-15-7891-13
Wiley ID 1692966