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3-(1,3-dioxo-2-isoindolyl)butanoic acid (methylthio)methyl ester
SpectraBase Compound ID 7SjOCT6tukU
InChI InChI=1S/C14H15NO4S/c1-9(7-12(16)19-8-20-2)15-13(17)10-5-3-4-6-11(10)14(15)18/h3-6,9H,7-8H2,1-2H3
InChIKey RBOJDHMGJRAEPD-UHFFFAOYSA-N
Mol Weight 293.34 g/mol
Molecular Formula C14H15NO4S
Exact Mass 293.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKaFEiED2Dh
Name 3-(1,3-dioxo-2-isoindolyl)butanoic acid (methylthio)methyl ester
Alternate Name(s) 3-Phthalimidobutyric acid (methylthio)methyl ester Methylsulfanylmethyl 3-(1,3-dioxoisoindol-2-yl)butanoate Methylsulfanylmethyl 3-(1,3-dioxoisoindolin-2-yl)butanoate Methylsulfanylmethyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate
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Formula C14H15NO4S
InChI InChI=1S/C14H15NO4S/c1-9(7-12(16)19-8-20-2)15-13(17)10-5-3-4-6-11(10)14(15)18/h3-6,9H,7-8H2,1-2H3
InChIKey RBOJDHMGJRAEPD-UHFFFAOYSA-N
Molecular Weight 293.337 g/mol
SMILES C1(N(C(c2ccccc12)=O)C(CC(OCSC)=O)C)=O
SPLASH splash10-00di-4920000000-b41594178b9d835fefcb
Source of Spectrum J-65-9031-3
Wiley ID 1534075