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Methyl 5-(2-Cyanoethyl)-3-hydroxy-4-propyl-1,1'-biphenyl-2-carboxylate
SpectraBase Compound ID Lb3Ufmc0ZgA
InChI InChI=1S/C20H21NO3/c1-3-8-16-15(11-7-12-21)13-17(14-9-5-4-6-10-14)18(19(16)22)20(23)24-2/h4-6,9-10,13,22H,3,7-8,11H2,1-2H3
InChIKey LEASMKNRRYTFLO-UHFFFAOYSA-N
Mol Weight 323.39 g/mol
Molecular Formula C20H21NO3
Exact Mass 323.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fznr3nwe0Zl
Name Methyl 5-(2-Cyanoethyl)-3-hydroxy-4-propyl-1,1'-biphenyl-2-carboxylate
Alternate Name(s) Methyl 5-(2-cyanoethyl)-3-hydroxy-4-propyl-[1,1'-biphenyl]-2-carboxylate
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Formula C20H21NO3
InChI InChI=1S/C20H21NO3/c1-3-8-16-15(11-7-12-21)13-17(14-9-5-4-6-10-14)18(19(16)22)20(23)24-2/h4-6,9-10,13,22H,3,7-8,11H2,1-2H3
InChIKey LEASMKNRRYTFLO-UHFFFAOYSA-N
Molecular Weight 323.392 g/mol
SMILES Oc1c(C(=O)OC)c(cc(c1CCC)CCC#N)-c1ccccc1
SPLASH splash10-01w0-0293000000-38973164cdfc03d51988
Source of Spectrum H-96-2189-5f
Wiley ID 1784623