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rac-[5-(2-Chlorophenyl)furan-2-yl]cyanomethylbutanoate
SpectraBase Compound ID CtO6wLdjPYw
InChI InChI=1S/C16H14ClNO3/c1-2-5-16(19)21-15(10-18)14-9-8-13(20-14)11-6-3-4-7-12(11)17/h3-4,6-9,15H,2,5H2,1H3
InChIKey YYTWOQFMKRBOPH-UHFFFAOYSA-N
Mol Weight 303.75 g/mol
Molecular Formula C16H14ClNO3
Exact Mass 303.066221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VokwYJujDW
Name rac-[5-(2-Chlorophenyl)furan-2-yl]cyanomethylbutanoate
Alternate Name(s) [5-(2-chlorophenyl)-2-furyl](cyano)methyl butyrate Butanoic acid [[5-(2-chlorophenyl)-2-furanyl]-cyanomethyl] ester [[5-(2-chlorophenyl)furan-2-yl]-cyanomethyl] butanoate [[5-(2-chlorophenyl)-2-furyl]-cyano-methyl] butanoate [[5-(2-chlorophenyl)furan-2-yl]-cyano-methyl] butanoate
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Formula C16H14ClNO3
InChI InChI=1S/C16H14ClNO3/c1-2-5-16(19)21-15(10-18)14-9-8-13(20-14)11-6-3-4-7-12(11)17/h3-4,6-9,15H,2,5H2,1H3
InChIKey YYTWOQFMKRBOPH-UHFFFAOYSA-N
Molecular Weight 303.745 g/mol
SMILES c1(oc(C(C#N)OC(=O)CCC)cc1)-c1c(Cl)cccc1
SPLASH splash10-014i-0591000000-08d90c3c0d5b00a510e6
Source of Spectrum KD-14-1902-3
Wiley ID 1636097