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N-benzoyl-N'-(2,4,6-tri-tert-butyl)phenylthiourea

View entire compound with spectra: 2 NMR

N-benzoyl-N'-(2,4,6-tri-tert-butyl)phenylthiourea
SpectraBase Compound ID Bln2Nzmz2
InChI InChI=1S/C26H36N2OS/c1-24(2,3)18-15-19(25(4,5)6)21(20(16-18)26(7,8)9)27-23(30)28-22(29)17-13-11-10-12-14-17/h10-16H,1-9H3,(H2,27,28,29,30)
InChIKey HEFTZORMGMTRPG-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C26H36N2OS
Exact Mass 424.254835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ZwmT7WgKNr
Name N-Benzoyl-N'-(2,4,6-tri-tert-butyl)phenylthiourea
Comments Computed using HOSE algorithm
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Exact Mass 424.254834960 u
Formula C26H36N2OS
InChI InChI=1S/C26H36N2OS/c1-24(2,3)18-15-19(25(4,5)6)21(20(16-18)26(7,8)9)27-23(30)28-22(29)17-13-11-10-12-14-17/h10-16H,1-9H3,(H2,27,28,29,30)
InChIKey HEFTZORMGMTRPG-UHFFFAOYSA-N
Molecular Weight 424.647 g/mol
SMILES N(C(NC(=O)c1ccccc1)=S)c1c(cc(C(C)(C)C)cc1C(C)(C)C)C(C)(C)C