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3-(Benzo-18-crown-6)prop-2-en-1-al

View entire compound with spectra: 1 MS (GC)

3-(Benzo-18-crown-6)prop-2-en-1-al
SpectraBase Compound ID 8AlnmvrIUuO
InChI InChI=1S/C19H26O7/c20-5-1-2-17-3-4-18-19(16-17)26-15-13-24-11-9-22-7-6-21-8-10-23-12-14-25-18/h1-5,16H,6-15H2/b2-1+
InChIKey RBDVMNOELWWSFO-OWOJBTEDSA-N
Mol Weight 366.41 g/mol
Molecular Formula C19H26O7
Exact Mass 366.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2deW5xpYG8E
Name 3-(Benzo-18-crown-6)prop-2-en-1-al
Alternate Name(s) (E)-3-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2-propenal (E)-3-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-enal
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Formula C19H26O7
InChI InChI=1S/C19H26O7/c20-5-1-2-17-3-4-18-19(16-17)26-15-13-24-11-9-22-7-6-21-8-10-23-12-14-25-18/h1-5,16H,6-15H2/b2-1+
InChIKey RBDVMNOELWWSFO-OWOJBTEDSA-N
Molecular Weight 366.410 g/mol
SMILES c12c(OCCOCCOCCOCCOCCO2)ccc(\C=C\C=O)c1
SPLASH splash10-07wl-0902000000-82556ddf2e9bec3550b0
Source of Spectrum SO-0-891-3
Wiley ID 863837