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4-({[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}methyl)benzoic acid

View entire compound with spectra: 2 NMR

4-({[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}methyl)benzoic acid
SpectraBase Compound ID 3O23BOHlUg5
InChI InChI=1S/C17H14N2O4S/c20-15(18-9-11-5-7-12(8-6-11)16(21)22)10-24-17-19-13-3-1-2-4-14(13)23-17/h1-8H,9-10H2,(H,18,20)(H,21,22)
InChIKey KGYWLYKMHAZYFF-UHFFFAOYSA-N
Mol Weight 342.37 g/mol
Molecular Formula C17H14N2O4S
Exact Mass 342.067428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IrIZkal9Ids
Name 4-({[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}methyl)benzoic acid
Comments Computed using HOSE algorithm
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Exact Mass 342.067428109 u
Formula C17H14N2O4S
InChI InChI=1S/C17H14N2O4S/c20-15(18-9-11-5-7-12(8-6-11)16(21)22)10-24-17-19-13-3-1-2-4-14(13)23-17/h1-8H,9-10H2,(H,18,20)(H,21,22)
InChIKey KGYWLYKMHAZYFF-UHFFFAOYSA-N
Molecular Weight 342.369 g/mol
SMILES N(C(CSC1=NC=2C=CC=CC2O1)=O)CC1=CC=C(C(=O)O)C=C1