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 Google Search
Mol Weight	523.8 g/mol
Molecular Formula	C33H49NO4
Exact Mass	523.366159 g/mol

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SpectraBase Spectrum ID	4ULSAik46AU
Name	Benzoic acid, 3-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]-, methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	523.366159058 u
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	CCCCCCCCCCCCCCCC1=CC=CC(OC(CC)C(=O)NC2=CC=CC(=C2)C(=O)OC)=C1