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ethyl 4-[2,4-dichloro-6-(cyclopropylidenemethyl)phenoxy]but-2-ynoate
SpectraBase Compound ID 8iVZsiHWeHB
InChI InChI=1S/C16H14Cl2O3/c1-2-20-15(19)4-3-7-21-16-12(8-11-5-6-11)9-13(17)10-14(16)18/h8-10H,2,5-7H2,1H3
InChIKey AEDIGAWQCGITIU-UHFFFAOYSA-N
Mol Weight 325.19 g/mol
Molecular Formula C16H14Cl2O3
Exact Mass 324.032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LdtOYLrnYc
Name ethyl 4-[2,4-dichloro-6-(cyclopropylidenemethyl)phenoxy]but-2-ynoate
Appearance White solid
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Exact Mass 324.031999708 u
Formula C16H14Cl2O3
InChI InChI=1S/C16H14Cl2O3/c1-2-20-15(19)4-3-7-21-16-12(8-11-5-6-11)9-13(17)10-14(16)18/h8-10H,2,5-7H2,1H3
InChIKey AEDIGAWQCGITIU-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201700600
Molecular Weight 325.191 g/mol
Quality 55
Reported Formula C16H14O3Cl2
SMILES C1=C(C=C(C(=C1C=C1CC1)OCC#CC(OCC)=O)Cl)Cl
SPLASH splash10-00b9-0009000000-2127da681d2d0443dfdf
Source of Spectrum QE-23-SM75-3t (DOI: 10.1002/chem.201700600)
Wiley ID 1905500