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3-(8,17-Dithiabenzo-18-crown-6)prop-2-enoic acid
SpectraBase Compound ID IRQd1ieJpxv
InChI InChI=1S/C19H26O6S2/c20-19(21)4-2-16-1-3-17-18(15-16)25-10-14-27-12-8-23-6-5-22-7-11-26-13-9-24-17/h1-4,15H,5-14H2,(H,20,21)/b4-2+
InChIKey MBVFSCCDRXWZIG-DUXPYHPUSA-N
Mol Weight 414.53 g/mol
Molecular Formula C19H26O6S2
Exact Mass 414.117081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FiK3N5YxOTv
Name 3-(8,17-Dithiabenzo-18-crown-6)prop-2-enoic acid
Alternate Name(s) (E)-3-(2,8,11,17-tetraoxa-5,14-dithiabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2-propenoic acid (E)-3-(2,8,11,17-tetraoxa-5,14-dithiabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-enoic acid
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Formula C19H26O6S2
InChI InChI=1S/C19H26O6S2/c20-19(21)4-2-16-1-3-17-18(15-16)25-10-14-27-12-8-23-6-5-22-7-11-26-13-9-24-17/h1-4,15H,5-14H2,(H,20,21)/b4-2+
InChIKey MBVFSCCDRXWZIG-DUXPYHPUSA-N
Molecular Weight 414.531 g/mol
SMILES OC(\C=C\c1cc2c(OCCSCCOCCOCCSCCO2)cc1)=O
SPLASH splash10-0a4r-9660100000-a504ade02388d343ad9f
Source of Spectrum SO-0-890-2
Wiley ID 863840