| SpectraBase Spectrum ID |
5Q2xsN9LcFC |
| Name |
3,5-bis(4-Bromophenyl)-1-(2-methylphenyl)-4,5-dihydro-1H-pyrazole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.983674588 u |
| Formula |
C22H18Br2N2 |
| InChI |
InChI=1S/C22H18Br2N2/c1-15-4-2-3-5-21(15)26-22(17-8-12-19(24)13-9-17)14-20(25-26)16-6-10-18(23)11-7-16/h2-13,22H,14H2,1H3 |
| InChIKey |
WXLBQKBILLMBTQ-UHFFFAOYSA-N |
| Molecular Weight |
470.208 g/mol |
| SMILES |
C=1C=C(C(N2N=C(C3=CC=C(C=C3)Br)CC2C2=CC=C(C=C2)Br)=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807332 |
