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3-(2-Phenylhydrazinyl)-N-(benzothiazol-2-yl)-2-cyanoacrylamide

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

3-(2-Phenylhydrazinyl)-N-(benzothiazol-2-yl)-2-cyanoacrylamide
SpectraBase Compound ID 8zHGht536mo
InChI InChI=1S/C17H13N5OS/c18-10-12(11-19-22-13-6-2-1-3-7-13)16(23)21-17-20-14-8-4-5-9-15(14)24-17/h1-9,11,19,22H,(H,20,21,23)/b12-11+
InChIKey RTZCEFFMXFNBFV-VAWYXSNFSA-N
Mol Weight 335.39 g/mol
Molecular Formula C17H13N5OS
Exact Mass 335.084081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8CjIEAdO392
Name 3-(2-Phenylhydrazinyl)-N-(benzothiazol-2-yl)-2-cyanoacrylamide
Comments Computed using HOSE algorithm
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Exact Mass 335.084081232 u
Formula C17H13N5OS
InChI InChI=1S/C17H13N5OS/c18-10-12(11-19-22-13-6-2-1-3-7-13)16(23)21-17-20-14-8-4-5-9-15(14)24-17/h1-9,11,19,22H,(H,20,21,23)/b12-11+
InChIKey RTZCEFFMXFNBFV-VAWYXSNFSA-N
Molecular Weight 335.385 g/mol
SMILES C1(=NC=2C=CC=CC2S1)NC(\C(C#N)=C\NNC1=CC=CC=C1)=O