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3-[(5-Isobutyl-2-methyl-3-furoyl)amino]benzoic acid
SpectraBase Compound ID HzNEis2NurG
InChI InChI=1S/C17H19NO4/c1-10(2)7-14-9-15(11(3)22-14)16(19)18-13-6-4-5-12(8-13)17(20)21/h4-6,8-10H,7H2,1-3H3,(H,18,19)(H,20,21)
InChIKey YJDYOVSWAKACAL-UHFFFAOYSA-N
Mol Weight 301.34 g/mol
Molecular Formula C17H19NO4
Exact Mass 301.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81ejgHeohBA
Name 3-[(5-Isobutyl-2-methyl-3-furoyl)amino]benzoic acid
Alternate Name(s) 3-[(5-isobutyl-2-methyl-furan-3-carbonyl)amino]benzoic acid 3-[[2-methyl-5-(2-methylpropyl)furan-3-carbonyl]amino]benzoic acid 3-[[2-methyl-5-(2-methylpropyl)furan-3-yl]carbonylamino]benzoic acid 3-[[[2-methyl-5-(2-methylpropyl)-3-furanyl]-oxomethyl]amino]benzoic acid
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Formula C17H19NO4
InChI InChI=1S/C17H19NO4/c1-10(2)7-14-9-15(11(3)22-14)16(19)18-13-6-4-5-12(8-13)17(20)21/h4-6,8-10H,7H2,1-3H3,(H,18,19)(H,20,21)
InChIKey YJDYOVSWAKACAL-UHFFFAOYSA-N
Molecular Weight 301.342 g/mol
SMILES N(C(c1c(oc(c1)CC(C)C)C)=O)c1cc(C(=O)O)ccc1
SPLASH splash10-014i-4900000000-5cc3c2fa3112d4e47f0e
Wiley ID 1463642