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Benzoic acid, 3-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]-, methyl ester
SpectraBase Compound ID B54KHF9qI9m
InChI InChI=1S/C33H49NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-27-21-18-24-30(25-27)38-31(5-2)32(35)34-29-23-19-22-28(26-29)33(36)37-3/h18-19,21-26,31H,4-17,20H2,1-3H3,(H,34,35)
InChIKey UFDHEBCWSQLPQB-UHFFFAOYSA-N
Mol Weight 523.8 g/mol
Molecular Formula C33H49NO4
Exact Mass 523.366159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65VrvSPVF2R
Name Benzoic acid, 3-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]-, methyl ester
Alternate Name(s) Methyl 3-(2-(3-pentadecylphenoxy)butanamido)benzoate Methyl 3-{[2-(3-pentadecylphenoxy)butanoyl]amino}benzoate 3-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]benzoic acid methyl ester Methyl 3-[2-(3-pentadecylphenoxy)butanoylamino]benzoate
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Formula C33H49NO4
InChI InChI=1S/C33H49NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-27-21-18-24-30(25-27)38-31(5-2)32(35)34-29-23-19-22-28(26-29)33(36)37-3/h18-19,21-26,31H,4-17,20H2,1-3H3,(H,34,35)
InChIKey UFDHEBCWSQLPQB-UHFFFAOYSA-N
Molecular Weight 523.758 g/mol
SMILES N(C(C(Oc1cccc(CCCCCCCCCCCCCCC)c1)CC)=O)c1cccc(c1)C(=O)OC
SPLASH splash10-052f-9100000000-b409be41675d16578d17
Source of Spectrum JX-2015-4-1058
Wiley ID 1726461