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(E)-3-Ethoxycarbonyl-4-methyl-4-(3'-chloro-6'-methylphenyl)but-3-enoic acid
SpectraBase Compound ID FB0q3NRmFcG
InChI InChI=1S/C15H17ClO4/c1-4-20-15(19)13(8-14(17)18)10(3)12-7-11(16)6-5-9(12)2/h5-7H,4,8H2,1-3H3,(H,17,18)/b13-10+
InChIKey JEZWTUABAZVHKL-JLHYYAGUSA-N
Mol Weight 296.75 g/mol
Molecular Formula C15H17ClO4
Exact Mass 296.081537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Wko7p6PbIz
Name (E)-3-Ethoxycarbonyl-4-methyl-4-(3'-chloro-6'-methylphenyl)but-3-enoic acid
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Formula C15H17ClO4
InChI InChI=1S/C15H17ClO4/c1-4-20-15(19)13(8-14(17)18)10(3)12-7-11(16)6-5-9(12)2/h5-7H,4,8H2,1-3H3,(H,17,18)/b13-10+
InChIKey JEZWTUABAZVHKL-JLHYYAGUSA-N
Molecular Weight 296.750 g/mol
SMILES OC(C\C(=C/(c1c(ccc(c1)Cl)C)C)C(=O)OCC)=O
SPLASH splash10-004l-2910000000-0879789d1ec12b866070
Source of Spectrum F7-15-247-1
Synonyms (E/Z)-3-Ethoxycarbonyl-4-(3'-chloro-6'-methylphenyl)pent-3-enoic acid (3E)-4-(5-chloro-2-methylphenyl)-3-(ethoxycarbonyl)-3-pentenoic acid (E/Z)-3-Ethoxycarbonyl-4-methyl-4-(3'-chloro-6'-methylphenyl)but-3-enoic acid
Wiley ID 1556809