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3-(Benzo-12-crown-4)prop-2-enoic acid

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3-(Benzo-12-crown-4)prop-2-enoic acid
SpectraBase Compound ID 1XfYSeSWZNe
InChI InChI=1S/C15H18O6/c16-15(17)4-2-12-1-3-13-14(11-12)21-10-8-19-6-5-18-7-9-20-13/h1-4,11H,5-10H2,(H,16,17)/b4-2+
InChIKey LMAIYESHIPSWSA-DUXPYHPUSA-N
Mol Weight 294.3 g/mol
Molecular Formula C15H18O6
Exact Mass 294.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hd1DugchG4s
Name 3-(Benzo-12-crown-4)prop-2-enoic acid
Alternate Name(s) (E)-3-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)-2-propenoic acid (E)-3-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)prop-2-enoic acid
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Formula C15H18O6
InChI InChI=1S/C15H18O6/c16-15(17)4-2-12-1-3-13-14(11-12)21-10-8-19-6-5-18-7-9-20-13/h1-4,11H,5-10H2,(H,16,17)/b4-2+
InChIKey LMAIYESHIPSWSA-DUXPYHPUSA-N
Molecular Weight 294.303 g/mol
SMILES OC(\C=C\c1cc2c(OCCOCCOCCO2)cc1)=O
SPLASH splash10-052f-6790000000-3047067e13b995946711
Source of Spectrum SO-0-890-2
Wiley ID 863842