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1,3-Benzothiazol-2-ylimino(triphenyl)phosphorane

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

1,3-Benzothiazol-2-ylimino(triphenyl)phosphorane
SpectraBase Compound ID GZXybmpYY92
InChI InChI=1S/C25H19N2PS/c1-4-12-20(13-5-1)28(21-14-6-2-7-15-21,22-16-8-3-9-17-22)27-25-26-23-18-10-11-19-24(23)29-25/h1-19H
InChIKey LHAJPBRIKSNTSK-UHFFFAOYSA-N
Mol Weight 410.47 g/mol
Molecular Formula C25H19N2PS
Exact Mass 410.100657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8uvy5WvxltW
Name 1,3-Benzothiazol-2-ylimino(triphenyl)phosphorane
Comments Computed using HOSE algorithm
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Exact Mass 410.100656792 u
Formula C25H19N2PS
InChI InChI=1S/C25H19N2PS/c1-4-12-20(13-5-1)28(21-14-6-2-7-15-21,22-16-8-3-9-17-22)27-25-26-23-18-10-11-19-24(23)29-25/h1-19H
InChIKey LHAJPBRIKSNTSK-UHFFFAOYSA-N
Molecular Weight 410.475 g/mol
SMILES C=1C=C2C(=CC1)SC(=N2)N=P(C=1C=CC=CC1)(C=1C=CC=CC1)C1=CC=CC=C1