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2-O-benzyl 1-O,1-O-diethyl 2-[(S)-(4-methylphenyl)sulfinyl]ethene-1,1,2-tricarboxylate
SpectraBase Compound ID 9jQcufC64qN
InChI InChI=1S/C23H24O7S/c1-4-28-21(24)19(22(25)29-5-2)20(31(27)18-13-11-16(3)12-14-18)23(26)30-15-17-9-7-6-8-10-17/h6-14H,4-5,15H2,1-3H3
InChIKey ZHZMXMUFJAVUIV-UHFFFAOYSA-N
Mol Weight 444.5 g/mol
Molecular Formula C23H24O7S
Exact Mass 444.124274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 61HkJxB4Pdl
Name 2-O-benzyl 1-O,1-O-diethyl 2-[(S)-(4-methylphenyl)sulfinyl]ethene-1,1,2-tricarboxylate
Alternate Name(s) 2-[(S)-(4-methylphenyl)sulfinyl]ethene-1,1,2-tricarboxylic acid O1,O1-diethyl ester O2-(phenylmethyl) ester 2-[(S)-p-tolylsulfinyl]ethene-1,1,2-tricarboxylic acid O2-benzyl ester O1,O1-diethyl ester O1,O1-diethyl O2-(phenylmethyl) 2-[(S)-(4-methylphenyl)sulfinyl]ethene-1,1,2-tricarboxylate O2-benzyl O1,O1-diethyl 2-[(S)-p-tolylsulfinyl]ethene-1,1,2-tricarboxylate
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Formula C23H24O7S
InChI InChI=1S/C23H24O7S/c1-4-28-21(24)19(22(25)29-5-2)20(31(27)18-13-11-16(3)12-14-18)23(26)30-15-17-9-7-6-8-10-17/h6-14H,4-5,15H2,1-3H3
InChIKey ZHZMXMUFJAVUIV-UHFFFAOYSA-N
Molecular Weight 444.498 g/mol
SMILES C(=C(C(=O)OCC)C(=O)OCC)([S@](c1ccc(cc1)C)=O)C(OCc1ccccc1)=O
SPLASH splash10-0006-9511000000-159fe1774ffae81c5606
Source of Spectrum F-51-8329-3
Wiley ID 792748