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2-(3-butylsulfanyl-2,5-dioxo-pyrrolidin-1-yl)-4,7-dimethoxy-isoindoline-1,3-dione
SpectraBase Compound ID 5qpDavpRxSs
InChI InChI=1S/C18H20N2O6S/c1-4-5-8-27-12-9-13(21)19(16(12)22)20-17(23)14-10(25-2)6-7-11(26-3)15(14)18(20)24/h6-7,12H,4-5,8-9H2,1-3H3
InChIKey VNLPBNUGUUSYJN-UHFFFAOYSA-N
Mol Weight 392.43 g/mol
Molecular Formula C18H20N2O6S
Exact Mass 392.104208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLSzb6Gu1WV
Name 2-(3-butylsulfanyl-2,5-dioxo-pyrrolidin-1-yl)-4,7-dimethoxy-isoindoline-1,3-dione
Alternate Name(s) 2-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4,7-dimethoxyisoindole-1,3-dione 2-[3-(butylthio)-2,5-diketo-pyrrolidino]-4,7-dimethoxy-isoindoline-1,3-quinone 2-[3-(butylthio)-2,5-dioxo-1-pyrrolidinyl]-4,7-dimethoxyisoindole-1,3-dione 2-[3-butylsulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-4,7-dimethoxy-isoindole-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2O6S
InChI InChI=1S/C18H20N2O6S/c1-4-5-8-27-12-9-13(21)19(16(12)22)20-17(23)14-10(25-2)6-7-11(26-3)15(14)18(20)24/h6-7,12H,4-5,8-9H2,1-3H3
InChIKey VNLPBNUGUUSYJN-UHFFFAOYSA-N
Molecular Weight 392.426 g/mol
SMILES C1(N(N2C(c3c(ccc(c3C2=O)OC)OC)=O)C(C(C1)SCCCC)=O)=O
SPLASH splash10-0a4i-0091000000-a0653a391f75ff999d02
Source of Spectrum KC-1993-215-30
Wiley ID 778703