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4-{[2-(isobutyrylamino)benzoyl]amino}benzoic acid
SpectraBase Compound ID Lup96ExuI4o
InChI InChI=1S/C18H18N2O4/c1-11(2)16(21)20-15-6-4-3-5-14(15)17(22)19-13-9-7-12(8-10-13)18(23)24/h3-11H,1-2H3,(H,19,22)(H,20,21)(H,23,24)
InChIKey WWTPDWGPDZPINT-UHFFFAOYSA-N
Mol Weight 326.35 g/mol
Molecular Formula C18H18N2O4
Exact Mass 326.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ICiyKz9Sy
Name 4-{[2-(isobutyrylamino)benzoyl]amino}benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O4
InChI InChI=1S/C18H18N2O4/c1-11(2)16(21)20-15-6-4-3-5-14(15)17(22)19-13-9-7-12(8-10-13)18(23)24/h3-11H,1-2H3,(H,19,22)(H,20,21)(H,23,24)
InChIKey WWTPDWGPDZPINT-UHFFFAOYSA-N
Molecular Weight 326.352 g/mol
SMILES N(c1c(C(Nc2ccc(C(=O)O)cc2)=O)cccc1)C(=O)C(C)C
SPLASH splash10-0006-6900000000-54eadb4fd813e07d12ea
Synonyms 4-(2-Isobutyrylamino-benzoylamino)-benzoic acid 4-[[2-(2-methylpropanoylamino)benzoyl]amino]benzoic acid 4-[[[2-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]amino]benzoic acid 4-[[2-(2-methylpropanoylamino)phenyl]carbonylamino]benzoic acid
Wiley ID 1437788