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Trans-1-N-(3,5-dichloro-2-hydroxyphenylmethylene)amino-2-N'-(diphenylthioxophosphino)aminocyclohexane

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

Trans-1-N-(3,5-dichloro-2-hydroxyphenylmethylene)amino-2-N'-(diphenylthioxophosphino)aminocyclohexane
SpectraBase Compound ID 2xSxIcIDEut
InChI InChI=1S/C25H25Cl2N2OPS/c26-19-15-18(25(30)22(27)16-19)17-28-23-13-7-8-14-24(23)29-31(32,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,15-17,23-24,30H,7-8,13-14H2,(H,29,32)/b28-17+/t23-,24-/m1/s1
InChIKey UMTQKTPHRNDJKO-XBJNIGNZSA-N
Mol Weight 503.43 g/mol
Molecular Formula C25H25Cl2N2OPS
Exact Mass 502.080227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cs7wzCsihyM
Name Trans-1-N-(3,5-dichloro-2-hydroxyphenylmethylene)amino-2-N'-(diphenylthioxophosphino)aminocyclohexane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.080227004 u
Formula C25H25Cl2N2OPS
InChI InChI=1S/C25H25Cl2N2OPS/c26-19-15-18(25(30)22(27)16-19)17-28-23-13-7-8-14-24(23)29-31(32,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,15-17,23-24,30H,7-8,13-14H2,(H,29,32)/b28-17+/t23-,24-/m1/s1
InChIKey UMTQKTPHRNDJKO-XBJNIGNZSA-N
Molecular Weight 503.428 g/mol
SMILES [C@@]1(NP(=S)(C2=CC=CC=C2)C2=CC=CC=C2)([C@](\N=C\C=2C(=C(Cl)C=C(C2)Cl)O)(CCCC1)[H])[H]