For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-(p-Chlorophenyl)-3-[2-(3,4,5-tribromopyrazol-1-yl)ethyl]urea

View entire compound with spectra: 1 NMR, and 1 FTIR

1-(p-Chlorophenyl)-3-[2-(3,4,5-tribromopyrazol-1-yl)ethyl]urea
SpectraBase Compound ID BtHukJNbI2l
InChI InChI=1S/C12H10Br3ClN4O/c13-9-10(14)19-20(11(9)15)6-5-17-12(21)18-8-3-1-7(16)2-4-8/h1-4H,5-6H2,(H2,17,18,21)
InChIKey KZVBXICNPLMKKH-UHFFFAOYSA-N
Mol Weight 501.4 g/mol
Molecular Formula C12H10Br3ClN4O
Exact Mass 497.809328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 23pylTWYWnV
Name 1-(p-Chlorophenyl)-3-[2-(3,4,5-tribromopyrazol-1-yl)ethyl]urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 497.809327657 u
Formula C12H10Br3ClN4O
InChI InChI=1S/C12H10Br3ClN4O/c13-9-10(14)19-20(11(9)15)6-5-17-12(21)18-8-3-1-7(16)2-4-8/h1-4H,5-6H2,(H2,17,18,21)
InChIKey KZVBXICNPLMKKH-UHFFFAOYSA-N
Molecular Weight 501.404 g/mol
SMILES N(C(=O)NCCN1C(Br)=C(C(Br)=N1)Br)C=1C=CC(=CC1)Cl