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5-(4-(Benzyloxy)phenyl)-3-(4-bromophenyl)-1-thiocarbamoyl-4,5-dihydro-1H-pyrazole

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

5-(4-(Benzyloxy)phenyl)-3-(4-bromophenyl)-1-thiocarbamoyl-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 2HJ7sq9PSMs
InChI InChI=1S/C23H20BrN3OS/c24-19-10-6-17(7-11-19)21-14-22(27(26-21)23(25)29)18-8-12-20(13-9-18)28-15-16-4-2-1-3-5-16/h1-13,22H,14-15H2,(H2,25,29)
InChIKey DUVAZFUOSBRTIF-UHFFFAOYSA-N
Mol Weight 466.4 g/mol
Molecular Formula C23H20BrN3OS
Exact Mass 465.051046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JM7COm6UPrh
Name 5-(4-(Benzyloxy)phenyl)-3-(4-bromophenyl)-1-thiocarbamoyl-4,5-dihydro-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.051046449 u
Formula C23H20BrN3OS
InChI InChI=1S/C23H20BrN3OS/c24-19-10-6-17(7-11-19)21-14-22(27(26-21)23(25)29)18-8-12-20(13-9-18)28-15-16-4-2-1-3-5-16/h1-13,22H,14-15H2,(H2,25,29)
InChIKey DUVAZFUOSBRTIF-UHFFFAOYSA-N
Molecular Weight 466.397 g/mol
SMILES C1(=NN(C(C1)C=1C=CC(=CC1)OCC=1C=CC=CC1)C(N)=S)C=1C=CC(=CC1)Br