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1-(2-bromo-5-methoxyphenyl)-3-(p-tert-butylbenzoyl)-2-thiourea
SpectraBase Compound ID A57gpt6RWUt
InChI InChI=1S/C19H21BrN2O2S/c1-19(2,3)13-7-5-12(6-8-13)17(23)22-18(25)21-16-11-14(24-4)9-10-15(16)20/h5-11H,1-4H3,(H2,21,22,23,25)
InChIKey KMLQLXVMHIAQFC-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 GTEM0Wvp2pU
Name 1-(2-BROMO-5-METHOXYPHENYL)-3-(p-tert-BUTYLBENZOYL)-2-THIOUREA
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21BrN2O2S
InChI InChI=1S/C19H21BrN2O2S/c1-19(2,3)13-7-5-12(6-8-13)17(23)22-18(25)21-16-11-14(24-4)9-10-15(16)20/h5-11H,1-4H3,(H2,21,22,23,25)
InChIKey KMLQLXVMHIAQFC-UHFFFAOYSA-N
Melting Point 155C
Molecular Weight 421.36
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms UREA, 1-/2-BROMO-5-METHOXYPHENYL/- 3-/P-tert-BUTYLBENZOYL/-2-THIO-,