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5'-(N-(2-(dimethylammonio)ethyl)decanamido)-2'-methoxybiphenyl-3-carboxylate
SpectraBase Compound ID 8bEEfdkx7SD
InChI InChI=1S/C28H40N2O4/c1-5-6-7-8-9-10-11-15-27(31)30(19-18-29(2)3)24-16-17-26(34-4)25(21-24)22-13-12-14-23(20-22)28(32)33/h12-14,16-17,20-21H,5-11,15,18-19H2,1-4H3,(H,32,33)
InChIKey KPMLUTDOVAPMNK-UHFFFAOYSA-N
Mol Weight 468.6 g/mol
Molecular Formula C28H40N2O4
Exact Mass 468.298808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZ63dM77qrf
Name 5'-(N-(2-(dimethylammonio)ethyl)decanamido)-2'-methoxybiphenyl-3-carboxylate
Alternate Name(s) 5'-(N-(2-(dimethylammonio)ethyl)decanamido)-2'-methoxy-[1,1'-biphenyl]-3-carboxylate 3-[5-[2-(dimethylamino)ethyl-(1-oxodecyl)amino]-2-methoxyphenyl]benzoic acid 3-[5-[decanoyl-[2-(dimethylamino)ethyl]amino]-2-methoxyphenyl]benzoic acid 3-[5-[decanoyl-[2-(dimethylamino)ethyl]amino]-2-methoxy-phenyl]benzoic acid
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Formula C28H40N2O4
InChI InChI=1S/C28H40N2O4/c1-5-6-7-8-9-10-11-15-27(31)30(19-18-29(2)3)24-16-17-26(34-4)25(21-24)22-13-12-14-23(20-22)28(32)33/h12-14,16-17,20-21H,5-11,15,18-19H2,1-4H3,(H,32,33)
InChIKey KPMLUTDOVAPMNK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201300369
Molecular Weight 468.638 g/mol
SMILES [NH+](C)(C)CCN(C(CCCCCCCCC)=O)c1ccc(c(c1)-c1cc(ccc1)C(=O)[O-])OC
SPLASH splash10-0aba-9043000000-1e2943fb57d58cd44a0b
Source of Spectrum CMC-9-160-15a
Wiley ID 1772926