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(E)-(S)s-3-t-Butoxycarbonyl-3-p-tolylsulfinylpropenoic acid methyl ester
SpectraBase Compound ID J5cggXyvGGu
InChI InChI=1S/C16H20O5S/c1-11-6-8-12(9-7-11)22(19)13(10-14(17)20-5)15(18)21-16(2,3)4/h6-10H,1-5H3/b13-10+
InChIKey XZYXHAOBRXUNNA-JLHYYAGUSA-N
Mol Weight 324.39 g/mol
Molecular Formula C16H20O5S
Exact Mass 324.103145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9x1vpwvg3zr
Name (E)-(S)s-3-t-Butoxycarbonyl-3-p-tolylsulfinylpropenoic acid methyl ester
Alternate Name(s) (E)-(S)-3-t-Butoxycarbonyl-3-p-tolylsulfinylpropenoic acid methyl ester 1-tert-Butyl 4-methyl (2E)-2-[(4-methylphenyl)sulfinyl]-2-butenedioate
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Formula C16H20O5S
InChI InChI=1S/C16H20O5S/c1-11-6-8-12(9-7-11)22(19)13(10-14(17)20-5)15(18)21-16(2,3)4/h6-10H,1-5H3/b13-10+
InChIKey XZYXHAOBRXUNNA-JLHYYAGUSA-N
Molecular Weight 324.391 g/mol
SMILES c1([S@@](\C(=C\C(=O)OC)C(OC(C)(C)C)=O)=O)ccc(cc1)C
SPLASH splash10-0aor-9030000000-50fd9fc9084209e9383b
Source of Spectrum QC-2-1202-2
Wiley ID 883049