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Methyl 5-(2-Cyanoethyl)-3-hydroxy-4-methyl-1,1'-biphenyl-2-carboxylate
SpectraBase Compound ID BIdMUqS5kEp
InChI InChI=1S/C18H17NO3/c1-12-14(9-6-10-19)11-15(13-7-4-3-5-8-13)16(17(12)20)18(21)22-2/h3-5,7-8,11,20H,6,9H2,1-2H3
InChIKey QTTHCRXKTDKLEX-UHFFFAOYSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E7oVtwURHPc
Name Methyl 5-(2-Cyanoethyl)-3-hydroxy-4-methyl-1,1'-biphenyl-2-carboxylate
Alternate Name(s) Methyl 5-(2-cyanoethyl)-3-hydroxy-4-methyl-[1,1'-biphenyl]-2-carboxylate
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Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c1-12-14(9-6-10-19)11-15(13-7-4-3-5-8-13)16(17(12)20)18(21)22-2/h3-5,7-8,11,20H,6,9H2,1-2H3
InChIKey QTTHCRXKTDKLEX-UHFFFAOYSA-N
Molecular Weight 295.338 g/mol
SMILES Oc1c(C(=O)OC)c(cc(c1C)CCC#N)-c1ccccc1
SPLASH splash10-03di-0190000000-08a7e11059e281e48651
Source of Spectrum H-96-2189-5d
Wiley ID 1784621