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3-(8,17-Dithiabenzo-18-crown-6)prop-2-en-1-al
SpectraBase Compound ID LLHXc9ZdH8S
InChI InChI=1S/C19H26O5S2/c20-5-1-2-17-3-4-18-19(16-17)24-11-15-26-13-9-22-7-6-21-8-12-25-14-10-23-18/h1-5,16H,6-15H2/b2-1+
InChIKey BBCWKQYZHCJWGA-OWOJBTEDSA-N
Mol Weight 398.53 g/mol
Molecular Formula C19H26O5S2
Exact Mass 398.122166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OpupB2LWi
Name 3-(8,17-Dithiabenzo-18-crown-6)prop-2-en-1-al
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O5S2
InChI InChI=1S/C19H26O5S2/c20-5-1-2-17-3-4-18-19(16-17)24-11-15-26-13-9-22-7-6-21-8-12-25-14-10-23-18/h1-5,16H,6-15H2/b2-1+
InChIKey BBCWKQYZHCJWGA-OWOJBTEDSA-N
Molecular Weight 398.532 g/mol
SMILES c12c(OCCSCCOCCOCCSCCO2)ccc(\C=C\C=O)c1
SPLASH splash10-000e-6904000000-5d2f7a86d920e5573e6d
Source of Spectrum SO-0-891-3
Synonyms (E)-3-(2,8,11,17-tetraoxa-5,14-dithiabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2-propenal (E)-3-(2,8,11,17-tetraoxa-5,14-dithiabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-enal
Wiley ID 863835