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11-(1,3-dioxo-2-isoindolyl)undecanoic acid (methylthio)methyl ester
SpectraBase Compound ID 9AwmTR6eVCO
InChI InChI=1S/C21H29NO4S/c1-27-16-26-19(23)14-8-6-4-2-3-5-7-11-15-22-20(24)17-12-9-10-13-18(17)21(22)25/h9-10,12-13H,2-8,11,14-16H2,1H3
InChIKey JQBXUPGNEPREEP-UHFFFAOYSA-N
Mol Weight 391.53 g/mol
Molecular Formula C21H29NO4S
Exact Mass 391.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID By76toMCy52
Name 11-(1,3-dioxo-2-isoindolyl)undecanoic acid (methylthio)methyl ester
Alternate Name(s) Methylsulfanylmethyl 11-(1,3-dioxoisoindol-2-yl)undecanoate Methylsulfanylmethyl 11-(1,3-dioxoisoindolin-2-yl)undecanoate Methylsulfanylmethyl 11-[1,3-bis(oxidanylidene)isoindol-2-yl]undecanoate
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Formula C21H29NO4S
InChI InChI=1S/C21H29NO4S/c1-27-16-26-19(23)14-8-6-4-2-3-5-7-11-15-22-20(24)17-12-9-10-13-18(17)21(22)25/h9-10,12-13H,2-8,11,14-16H2,1H3
InChIKey JQBXUPGNEPREEP-UHFFFAOYSA-N
Molecular Weight 391.526 g/mol
SMILES C(CCCCCCCCCCN1C(=O)c2c(C1=O)cccc2)(=O)OCSC
SPLASH splash10-03di-5921000000-81b047b54b814d34f5e4
Source of Spectrum J-65-9031-1
Wiley ID 1534076