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4-[methyl(octadecyl)amino]-3-nitro-benzoic acid
SpectraBase Compound ID 33oArlZZt7M
InChI InChI=1S/C26H44N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27(2)24-20-19-23(26(29)30)22-25(24)28(31)32/h19-20,22H,3-18,21H2,1-2H3,(H,29,30)
InChIKey CITOGJZWCOOZGD-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C26H44N2O4
Exact Mass 448.330108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNZdK2kMBxN
Name 4-[methyl(octadecyl)amino]-3-nitro-benzoic acid
Alternate Name(s) 4-[methyl(stearyl)amino]-3-nitro-benzoic acid
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Formula C26H44N2O4
InChI InChI=1S/C26H44N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27(2)24-20-19-23(26(29)30)22-25(24)28(31)32/h19-20,22H,3-18,21H2,1-2H3,(H,29,30)
InChIKey CITOGJZWCOOZGD-UHFFFAOYSA-N
Molecular Weight 448.648 g/mol
SMILES OC(c1cc(N(=O)=O)c(cc1)N(CCCCCCCCCCCCCCCCCC)C)=O
SPLASH splash10-0a4l-9360000000-02e0e864677e9b8e96e2
Source of Spectrum IC-1182-0-0
Wiley ID 1387247