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1-[3-(5-chloro-3-methylbezo[b]thien-2-yl)-1-methylpyrazol-5-yl]-3-isopropylurea

View entire compound with spectra: 3 NMR, and 1 FTIR

1-[3-(5-chloro-3-methylbezo[b]thien-2-yl)-1-methylpyrazol-5-yl]-3-isopropylurea
SpectraBase Compound ID 5y5XVMqdwIC
InChI InChI=1S/C17H19ClN4OS/c1-9(2)19-17(23)20-15-8-13(21-22(15)4)16-10(3)12-7-11(18)5-6-14(12)24-16/h5-9H,1-4H3,(H2,19,20,23)
InChIKey NFKFRUWITDBUGB-UHFFFAOYSA-N
Mol Weight 362.88 g/mol
Molecular Formula C17H19ClN4OS
Exact Mass 362.09681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KpxvnlfnIrI
Name 1-[3-(5-CHLORO-3-METHYLBENZO[b]THIEN-2-YL)-1-METHYLPYRAZOL-5-YL]-3-ISOPROPYLUREA
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19ClN4OS
InChI InChI=1S/C17H19ClN4OS/c1-9(2)19-17(23)20-15-8-13(21-22(15)4)16-10(3)12-7-11(18)5-6-14(12)24-16/h5-9H,1-4H3,(H2,19,20,23)
InChIKey NFKFRUWITDBUGB-UHFFFAOYSA-N
Melting Point 271-273C
Molecular Weight 362.88
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms UREA, 1-[3-(5-CHLORO-3-METHYLBENZO[b]THIEN-2-YL)-1-METHYLPYRAZOL-5-YL]-3-ISOPROPYL-,