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3-(Benzo-12-crown-4)prop-2-en-1-al

View entire compound with spectra: 1 MS (GC)

3-(Benzo-12-crown-4)prop-2-en-1-al
SpectraBase Compound ID J9yQprFyblw
InChI InChI=1S/C15H18O5/c16-5-1-2-13-3-4-14-15(12-13)20-11-9-18-7-6-17-8-10-19-14/h1-5,12H,6-11H2/b2-1+
InChIKey NTJKLPVHONUJIN-OWOJBTEDSA-N
Mol Weight 278.3 g/mol
Molecular Formula C15H18O5
Exact Mass 278.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JXAmDvqzgZ3
Name 3-(Benzo-12-crown-4)prop-2-en-1-al
Alternate Name(s) (E)-3-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)-2-propenal (E)-3-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)prop-2-enal
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Formula C15H18O5
InChI InChI=1S/C15H18O5/c16-5-1-2-13-3-4-14-15(12-13)20-11-9-18-7-6-17-8-10-19-14/h1-5,12H,6-11H2/b2-1+
InChIKey NTJKLPVHONUJIN-OWOJBTEDSA-N
Molecular Weight 278.304 g/mol
SMILES c12c(OCCOCCOCCO2)ccc(\C=C\C=O)c1
SPLASH splash10-004i-2940000000-59697f447a0e50127bcb
Source of Spectrum SO-0-891-3
Wiley ID 863839