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(E)-3-(2-chloroethoxy)-3-(1-cyclohepta-1,3,5-trienyl)-2-propenal
SpectraBase Compound ID Dl4llM1BXa4
InChI InChI=1S/C12H13ClO2/c13-8-10-15-12(7-9-14)11-5-3-1-2-4-6-11/h1-5,7,9H,6,8,10H2/b12-7+
InChIKey COQIFCTXPUMNCW-KPKJPENVSA-N
Mol Weight 224.69 g/mol
Molecular Formula C12H13ClO2
Exact Mass 224.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MyBuFbXskd
Name (E)-3-(2-chloroethoxy)-3-(1-cyclohepta-1,3,5-trienyl)-2-propenal
Comments Less than 3 mono-isotopic peaks
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Formula C12H13ClO2
InChI InChI=1S/C12H13ClO2/c13-8-10-15-12(7-9-14)11-5-3-1-2-4-6-11/h1-5,7,9H,6,8,10H2/b12-7+
InChIKey COQIFCTXPUMNCW-KPKJPENVSA-N
Molecular Weight 224.687 g/mol
SMILES C1(\C(=C/C=O)OCCCl)=CC=CC=CC1
SPLASH splash10-00di-0090000000-ea1951500b51d5dc0c7e
Source of Spectrum KC-0-1584-17
Synonyms (E)-3-(2-chloroethoxy)-3-cyclohepta-1,3,5-trien-1-yl-acrolein (E)-3-(2-chloroethoxy)-3-cyclohepta-1,3,5-trien-1-yl-prop-2-enal (E)-3-(2-chloroethyloxy)-3-cyclohepta-1,3,5-trien-1-yl-prop-2-enal
Wiley ID 781254