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N-Benzothiazol-2-yl-2-(diphenyl-phosphinoyl)-acetamide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

N-Benzothiazol-2-yl-2-(diphenyl-phosphinoyl)-acetamide
SpectraBase Compound ID 2Tf5xyVh2M0
InChI InChI=1S/C21H17N2O2PS/c24-20(23-21-22-18-13-7-8-14-19(18)27-21)15-26(25,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2,(H,22,23,24)
InChIKey AVMVOVCPFVLVEG-UHFFFAOYSA-N
Mol Weight 392.41 g/mol
Molecular Formula C21H17N2O2PS
Exact Mass 392.074836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ckr5nAnPMwg
Name N-Benzothiazol-2-yl-2-(diphenyl-phosphinoyl)-acetamide
Comments Computed using HOSE algorithm
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Exact Mass 392.074835965 u
Formula C21H17N2O2PS
InChI InChI=1S/C21H17N2O2PS/c24-20(23-21-22-18-13-7-8-14-19(18)27-21)15-26(25,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2,(H,22,23,24)
InChIKey AVMVOVCPFVLVEG-UHFFFAOYSA-N
Molecular Weight 392.413 g/mol
SMILES C1(=NC2=CC=CC=C2S1)NC(CP(=O)(C1=CC=CC=C1)C1=CC=CC=C1)=O