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4'-(6-Methyl-2-benzothiazolyl)maleanilic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4'-(6-Methyl-2-benzothiazolyl)maleanilic acid
SpectraBase Compound ID HTHguij8LSw
InChI InChI=1S/C18H14N2O3S/c1-11-2-7-14-15(10-11)24-18(20-14)12-3-5-13(6-4-12)19-16(21)8-9-17(22)23/h2-10H,1H3,(H,19,21)(H,22,23)/b9-8-
InChIKey HDYOIHVTWSZHQB-HJWRWDBZSA-N
Mol Weight 338.38 g/mol
Molecular Formula C18H14N2O3S
Exact Mass 338.072513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2PmP5r5TWJp
Name 4'-(6-Methyl-2-benzothiazolyl)maleanilic acid
Comments Computed using HOSE algorithm
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Exact Mass 338.072513490 u
Formula C18H14N2O3S
InChI InChI=1S/C18H14N2O3S/c1-11-2-7-14-15(10-11)24-18(20-14)12-3-5-13(6-4-12)19-16(21)8-9-17(22)23/h2-10H,1H3,(H,19,21)(H,22,23)/b9-8-
InChIKey HDYOIHVTWSZHQB-HJWRWDBZSA-N
Molecular Weight 338.381 g/mol
SMILES N(C=1C=CC(=CC1)C1=NC=2C=CC(C)=CC2S1)C(\C=C/C(=O)O)=O