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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7G8ZuHcneNh
Name 4-(HEXADECYLMETHYLAMINO)-3-NITROBENZOIC ACID, METHYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S63021
Copyright Copyright © 1980, 1981-2024 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
Molecular Weight 434.621002
Synonyms BENZOIC ACID, 4-/HEXADECYLMETHYL- AMINO/-3-NITRO-, METHYL ESTER
Technique KBr WAFER