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4-(hexadecylmethylamino)-3-nitrobenzoic acid, methyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

4-(hexadecylmethylamino)-3-nitrobenzoic acid, methyl ester
SpectraBase Compound ID Ktyli67Vdr3
InChI InChI=1S/C25H42N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26(2)23-19-18-22(25(28)31-3)21-24(23)27(29)30/h18-19,21H,4-17,20H2,1-3H3
InChIKey FGUUTZCTVLZJHB-UHFFFAOYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C25H42N2O4
Exact Mass 434.314458 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DK5wfVsM43t
Name 4-(HEXADECYLMETHYLAMINO)-3-NITROBENZOIC ACID, METHYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H42N2O4
InChI InChI=1S/C25H42N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26(2)23-19-18-22(25(28)31-3)21-24(23)27(29)30/h18-19,21H,4-17,20H2,1-3H3
InChIKey FGUUTZCTVLZJHB-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 434.62
Solvent CDCl3; Reference=TMS; Temperature 297K