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3-(8,14-Dithiabenzo-15-crown-5)prop-2-enoic acid
SpectraBase Compound ID HNbEWbMZ1er
InChI InChI=1S/C17H22O5S2/c18-17(19)4-2-14-1-3-15-16(13-14)22-8-12-24-10-6-20-5-9-23-11-7-21-15/h1-4,13H,5-12H2,(H,18,19)/b4-2+
InChIKey BAUDHLFWFDIOMZ-DUXPYHPUSA-N
Mol Weight 370.48 g/mol
Molecular Formula C17H22O5S2
Exact Mass 370.090866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkQ2RivOeMl
Name 3-(8,14-Dithiabenzo-15-crown-5)prop-2-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O5S2
InChI InChI=1S/C17H22O5S2/c18-17(19)4-2-14-1-3-15-16(13-14)22-8-12-24-10-6-20-5-9-23-11-7-21-15/h1-4,13H,5-12H2,(H,18,19)/b4-2+
InChIKey BAUDHLFWFDIOMZ-DUXPYHPUSA-N
Molecular Weight 370.478 g/mol
SMILES OC(\C=C\c1cc2c(OCCSCCOCCSCCO2)cc1)=O
SPLASH splash10-0a4i-3795000000-28507ee8821d45a7f46c
Source of Spectrum SO-0-890-2
Synonyms (E)-3-(2,8,14-trioxa-5,11-dithiabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2-propenoic acid (E)-3-(2,8,14-trioxa-5,11-dithiabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)prop-2-enoic acid
Wiley ID 863841