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3-Chloro-benzo[B]thiophene-2-carboxylic acid, N'-acridin-9-yl-hydrazide
SpectraBase Compound ID 6aGi913czON
InChI InChI=1S/C22H14ClN3OS/c23-19-15-9-3-6-12-18(15)28-21(19)22(27)26-25-20-13-7-1-4-10-16(13)24-17-11-5-2-8-14(17)20/h1-12H,(H,24,25)(H,26,27)
InChIKey AQCGJHDYNQXUKP-UHFFFAOYSA-N
Mol Weight 403.89 g/mol
Molecular Formula C22H14ClN3OS
Exact Mass 403.054611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 90PoIwnuzsF
Name 3-Chloro-benzo[B]thiophene-2-carboxylic acid, N'-acridin-9-yl-hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 403.054610956 u
Formula C22H14ClN3OS
InChI InChI=1S/C22H14ClN3OS/c23-19-15-9-3-6-12-18(15)28-21(19)22(27)26-25-20-13-7-1-4-10-16(13)24-17-11-5-2-8-14(17)20/h1-12H,(H,24,25)(H,26,27)
InChIKey AQCGJHDYNQXUKP-UHFFFAOYSA-N
Molecular Weight 403.887 g/mol
SMILES C=1(SC2=CC=CC=C2C1Cl)C(NNC1=C2C(C=CC=C2)=NC2=C1C=CC=C2)=O