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N-di(3,5-Dimethylphenyloxy)thiophosphoryl-N,N'-dicyclohexylthiourea

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N-di(3,5-Dimethylphenyloxy)thiophosphoryl-N,N'-dicyclohexylthiourea
SpectraBase Compound ID 3UuczADVQKb
InChI InChI=1S/C29H41N2O2PS2/c1-21-15-22(2)18-27(17-21)32-34(36,33-28-19-23(3)16-24(4)20-28)31(26-13-9-6-10-14-26)29(35)30-25-11-7-5-8-12-25/h15-20,25-26H,5-14H2,1-4H3,(H,30,35)
InChIKey LXSOLDBWNWTJSM-UHFFFAOYSA-N
Mol Weight 544.8 g/mol
Molecular Formula C29H41N2O2PS2
Exact Mass 544.234708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DW0MMqjRFXf
Name N-di(3,5-Dimethylphenyloxy)thiophosphoryl-N,N'-dicyclohexylthiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 544.234707912 u
Formula C29H41N2O2PS2
InChI InChI=1S/C29H41N2O2PS2/c1-21-15-22(2)18-27(17-21)32-34(36,33-28-19-23(3)16-24(4)20-28)31(26-13-9-6-10-14-26)29(35)30-25-11-7-5-8-12-25/h15-20,25-26H,5-14H2,1-4H3,(H,30,35)
InChIKey LXSOLDBWNWTJSM-UHFFFAOYSA-N
Molecular Weight 544.753 g/mol
SMILES N(C(=S)N(C1CCCCC1)P(Oc1cc(C)cc(c1)C)(=S)Oc1cc(C)cc(c1)C)C1CCCCC1