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2-[[1-(1H-benzimidazol-2-yl)-3-ethoxy-3-oxo-prop-1-enyl]amino]benzoic acid
SpectraBase Compound ID EXWBX3mBNVf
InChI InChI=1S/C19H17N3O4/c1-2-26-17(23)11-16(18-21-14-9-5-6-10-15(14)22-18)20-13-8-4-3-7-12(13)19(24)25/h3-11,20H,2H2,1H3,(H,21,22)(H,24,25)
InChIKey QQXZCSLTYJLHIK-UHFFFAOYSA-N
Mol Weight 351.36 g/mol
Molecular Formula C19H17N3O4
Exact Mass 351.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71F6cTIFTZy
Name 2-[[1-(1H-benzimidazol-2-yl)-3-ethoxy-3-oxo-prop-1-enyl]amino]benzoic acid
Appearance Yellow crystals
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Formula C19H17N3O4
InChI InChI=1S/C19H17N3O4/c1-2-26-17(23)11-16(18-21-14-9-5-6-10-15(14)22-18)20-13-8-4-3-7-12(13)19(24)25/h3-11,20H,2H2,1H3,(H,21,22)(H,24,25)
InChIKey QQXZCSLTYJLHIK-UHFFFAOYSA-N
Instrument Name Shimadzu GCMSeQP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/ardp.201800314
Molecular Weight 351.362 g/mol
SMILES N(c1c(cccc1)C(=O)O)C(c1[nH]c2c(n1)cccc2)=CC(=O)OCC
SPLASH splash10-06s9-5594000000-38bf628204e94d06efa7
Source of Spectrum APC-352-SM8-12
Wiley ID 1838373