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

View entire compound with spectra: 2 NMR

4-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}benzoic acid
SpectraBase Compound ID 1XI5cwbKi8d
InChI InChI=1S/C16H12N2O3S2/c19-14(17-11-7-5-10(6-8-11)15(20)21)9-22-16-18-12-3-1-2-4-13(12)23-16/h1-8H,9H2,(H,17,19)(H,20,21)
InChIKey ARVQDURBWHSEPA-UHFFFAOYSA-N
Mol Weight 344.4 g/mol
Molecular Formula C16H12N2O3S2
Exact Mass 344.028935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F9Wd0OAbmCZ
Name 4-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}benzoic acid
Comments Computed using HOSE algorithm
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Exact Mass 344.028934599 u
Formula C16H12N2O3S2
InChI InChI=1S/C16H12N2O3S2/c19-14(17-11-7-5-10(6-8-11)15(20)21)9-22-16-18-12-3-1-2-4-13(12)23-16/h1-8H,9H2,(H,17,19)(H,20,21)
InChIKey ARVQDURBWHSEPA-UHFFFAOYSA-N
Molecular Weight 344.403 g/mol
SMILES N(C(CSC1=NC=2C=CC=CC2S1)=O)C=1C=CC(C(=O)O)=CC1