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5'-((N-(2-(dimethylammonio)ethyl)decanamido)methyl)-2'-methoxybiphenyl-4-carboxylate
SpectraBase Compound ID 35wCCk9MsL1
InChI InChI=1S/C29H42N2O4/c1-5-6-7-8-9-10-11-12-28(32)31(20-19-30(2)3)22-23-13-18-27(35-4)26(21-23)24-14-16-25(17-15-24)29(33)34/h13-18,21H,5-12,19-20,22H2,1-4H3,(H,33,34)
InChIKey WMIRSHURYNQCCU-UHFFFAOYSA-N
Mol Weight 482.7 g/mol
Molecular Formula C29H42N2O4
Exact Mass 482.314458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FoFvkyQFIYy
Name 5'-((N-(2-(dimethylammonio)ethyl)decanamido)methyl)-2'-methoxybiphenyl-4-carboxylate
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Formula C29H42N2O4
InChI InChI=1S/C29H42N2O4/c1-5-6-7-8-9-10-11-12-28(32)31(20-19-30(2)3)22-23-13-18-27(35-4)26(21-23)24-14-16-25(17-15-24)29(33)34/h13-18,21H,5-12,19-20,22H2,1-4H3,(H,33,34)
InChIKey WMIRSHURYNQCCU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201300369
Molecular Weight 482.665 g/mol
SMILES [NH+](C)(C)CCN(C(CCCCCCCCC)=O)Cc1ccc(c(c1)-c1ccc(cc1)C(=O)[O-])OC
SPLASH splash10-0a4i-9010100000-62e30cbddc23ef3818d5
Source of Spectrum CMC-9-160-15c
Synonyms 5'-((N-(2-(dimethylammonio)ethyl)decanamido)methyl)-2'-methoxy-[1,1'-biphenyl]-4-carboxylate 4-[5-[[2-(dimethylamino)ethyl-(1-oxodecyl)amino]methyl]-2-methoxyphenyl]benzoic acid 4-[5-[[decanoyl-[2-(dimethylamino)ethyl]amino]methyl]-2-methoxyphenyl]benzoic acid 4-[5-[[decanoyl-[2-(dimethylamino)ethyl]amino]methyl]-2-methoxy-phenyl]benzoic acid
Wiley ID 1772927