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

*Links on SpectraBase are not permalinks.

Pyrazole, 3-tert-butyl-5-(4-chlorophenyl)-1-(4-nitrophenyl)-

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

Pyrazole, 3-tert-butyl-5-(4-chlorophenyl)-1-(4-nitrophenyl)-
SpectraBase Compound ID FfH8xoOw5Mj
InChI InChI=1S/C19H18ClN3O2/c1-19(2,3)18-12-17(13-4-6-14(20)7-5-13)22(21-18)15-8-10-16(11-9-15)23(24)25/h4-12H,1-3H3
InChIKey CRHGRVDTXFCGIF-UHFFFAOYSA-N
Mol Weight 355.83 g/mol
Molecular Formula C19H18ClN3O2
Exact Mass 355.108755 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 3tnwS1RdkEI
Name Pyrazole, 3-tert-butyl-5-(4-chlorophenyl)-1-(4-nitrophenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.108754530 u
Formula C19H18ClN3O2
InChI InChI=1S/C19H18ClN3O2/c1-19(2,3)18-12-17(13-4-6-14(20)7-5-13)22(21-18)15-8-10-16(11-9-15)23(24)25/h4-12H,1-3H3
InChIKey CRHGRVDTXFCGIF-UHFFFAOYSA-N
Molecular Weight 355.825 g/mol
SMILES C1=C(C=CC(=C1)N1C(=CC(=N1)C(C)(C)C)C1=CC=C(C=C1)Cl)N(=O)=O