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3-(8,14-Dithiabenzo-15-crown-5)prop-2-en-1-al
SpectraBase Compound ID 1QDYHfhxMkb
InChI InChI=1S/C17H22O4S2/c18-5-1-2-15-3-4-16-17(14-15)21-9-13-23-11-7-19-6-10-22-12-8-20-16/h1-5,14H,6-13H2/b2-1+
InChIKey FDSCYTLZSDZWSL-OWOJBTEDSA-N
Mol Weight 354.48 g/mol
Molecular Formula C17H22O4S2
Exact Mass 354.095952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ydMGlczwQr
Name 3-(8,14-Dithiabenzo-15-crown-5)prop-2-en-1-al
Alternate Name(s) (E)-3-(2,8,14-trioxa-5,11-dithiabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2-propenal (E)-3-(2,8,14-trioxa-5,11-dithiabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)prop-2-enal
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Formula C17H22O4S2
InChI InChI=1S/C17H22O4S2/c18-5-1-2-15-3-4-16-17(14-15)21-9-13-23-11-7-19-6-10-22-12-8-20-16/h1-5,14H,6-13H2/b2-1+
InChIKey FDSCYTLZSDZWSL-OWOJBTEDSA-N
Molecular Weight 354.479 g/mol
SMILES c12c(OCCSCCOCCSCCO2)ccc(\C=C\C=O)c1
SPLASH splash10-0006-3903000000-70b4e9e60ba6be52ca76
Source of Spectrum SO-0-891-3
Wiley ID 863836