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2-[3-[(2-carboxyphenyl)amino]propylamino]benzoic acid

View entire compound with spectra: 1 MS (GC)

2-[3-[(2-carboxyphenyl)amino]propylamino]benzoic acid
SpectraBase Compound ID EPXoiraAuCr
InChI InChI=1S/C17H18N2O4/c20-16(21)12-6-1-3-8-14(12)18-10-5-11-19-15-9-4-2-7-13(15)17(22)23/h1-4,6-9,18-19H,5,10-11H2,(H,20,21)(H,22,23)
InChIKey SEUAUIKOJYPMOS-UHFFFAOYSA-N
Mol Weight 314.34 g/mol
Molecular Formula C17H18N2O4
Exact Mass 314.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWmfw98GhCL
Name 2-[3-[(2-carboxyphenyl)amino]propylamino]benzoic acid
CAS Registry Number 59400-11-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2O4
InChI InChI=1S/C17H18N2O4/c20-16(21)12-6-1-3-8-14(12)18-10-5-11-19-15-9-4-2-7-13(15)17(22)23/h1-4,6-9,18-19H,5,10-11H2,(H,20,21)(H,22,23)
InChIKey SEUAUIKOJYPMOS-UHFFFAOYSA-N
Molecular Weight 314.341 g/mol
SMILES OC(c1c(cccc1)NCCCNc1c(C(=O)O)cccc1)=O
SPLASH splash10-003r-1901000000-507cec7f16d11a6d9c45
Source of Spectrum B-30-228-0
Wiley ID 1315001