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5-Chloro-1-N-(1,3-benzothiazol-2-yl)-2-N-(triphenyl-lambda5-phosphanylidene)benzene-1,2-diamine

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5-Chloro-1-N-(1,3-benzothiazol-2-yl)-2-N-(triphenyl-lambda5-phosphanylidene)benzene-1,2-diamine
SpectraBase Compound ID AZYsi4k366
InChI InChI=1S/C31H23ClN3PS/c32-23-20-21-27(29(22-23)34-31-33-28-18-10-11-19-30(28)37-31)35-36(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-22H,(H,33,34)
InChIKey HNMQQRZFFXQORS-UHFFFAOYSA-N
Mol Weight 536.03 g/mol
Molecular Formula C31H23ClN3PS
Exact Mass 535.103884 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FZYIuYafSqR
Name 5-Chloro-1-N-(1,3-benzothiazol-2-yl)-2-N-(triphenyl-LAMBDA5-phosphanylidene)benzene-1,2-diamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 535.103883625 u
Formula C31H23ClN3PS
InChI InChI=1S/C31H23ClN3PS/c32-23-20-21-27(29(22-23)34-31-33-28-18-10-11-19-30(28)37-31)35-36(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-22H,(H,33,34)
InChIKey HNMQQRZFFXQORS-UHFFFAOYSA-N
Molecular Weight 536.033 g/mol
SMILES C=1(C(=CC=C(C1)Cl)N=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)NC=1SC2=C(N1)C=CC=C2