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N-(4-bromo-2,6-dimethylphenyl)-N'-(4-propoxybenzoyl)thiourea

View entire compound with spectra: 2 NMR

N-(4-bromo-2,6-dimethylphenyl)-N'-(4-propoxybenzoyl)thiourea
SpectraBase Compound ID J8kTt2K60o7
InChI InChI=1S/C19H21BrN2O2S/c1-4-9-24-16-7-5-14(6-8-16)18(23)22-19(25)21-17-12(2)10-15(20)11-13(17)3/h5-8,10-11H,4,9H2,1-3H3,(H2,21,22,23,25)
InChIKey ROIXCPULHCGRLA-UHFFFAOYSA-N
Mol Weight 421.35 g/mol
Molecular Formula C19H21BrN2O2S
Exact Mass 420.050712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7MN4fKSbQln
Name N-(4-Bromo-2,6-dimethylphenyl)-N'-(4-propoxybenzoyl)thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.050712096 u
Formula C19H21BrN2O2S
InChI InChI=1S/C19H21BrN2O2S/c1-4-9-24-16-7-5-14(6-8-16)18(23)22-19(25)21-17-12(2)10-15(20)11-13(17)3/h5-8,10-11H,4,9H2,1-3H3,(H2,21,22,23,25)
InChIKey ROIXCPULHCGRLA-UHFFFAOYSA-N
Molecular Weight 421.353 g/mol
SMILES N(C(NC=1C(=CC(=CC1C)Br)C)=S)C(C1=CC=C(C=C1)OCCC)=O