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Methyl 5-(2-Cyanoethyl)-3-hydroxy-4-methoxy-1,1'-biphenyl-2-carboxylate
SpectraBase Compound ID 8wPrmAYBHIs
InChI InChI=1S/C18H17NO4/c1-22-17-13(9-6-10-19)11-14(12-7-4-3-5-8-12)15(16(17)20)18(21)23-2/h3-5,7-8,11,20H,6,9H2,1-2H3
InChIKey WOWQVAHOLNUBGW-UHFFFAOYSA-N
Mol Weight 311.34 g/mol
Molecular Formula C18H17NO4
Exact Mass 311.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kMIrV3clqH
Name Methyl 5-(2-Cyanoethyl)-3-hydroxy-4-methoxy-1,1'-biphenyl-2-carboxylate
Alternate Name(s) Methyl 5-(2-cyanoethyl)-3-hydroxy-4-methoxy-[1,1'-biphenyl]-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO4
InChI InChI=1S/C18H17NO4/c1-22-17-13(9-6-10-19)11-14(12-7-4-3-5-8-12)15(16(17)20)18(21)23-2/h3-5,7-8,11,20H,6,9H2,1-2H3
InChIKey WOWQVAHOLNUBGW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200615
Molecular Weight 311.337 g/mol
SMILES Oc1c(c(cc(-c2ccccc2)c1C(=O)OC)CCC#N)OC
SPLASH splash10-004i-0192000000-a9b3018e9a180618d322
Source of Spectrum H-96-2189-5g
Wiley ID 1784624