| SpectraBase Spectrum ID |
4j9HIUvvsTb |
| Name |
4,5-Dihydro-5-(bromomethylene)-3,4,4-trimethyl-1-(p-toluoyl)-1H-pyrazole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.052426174 u |
| Formula |
C15H17BrN2O |
| InChI |
InChI=1S/C15H17BrN2O/c1-10-5-7-12(8-6-10)14(19)18-13(9-16)15(3,4)11(2)17-18/h5-9H,1-4H3/b13-9+ |
| InChIKey |
OABYBDDEXBUTAT-UKTHLTGXSA-N |
| Molecular Weight |
321.218 g/mol |
| SMILES |
C1(\C(N(N=C1C)C(C1=CC=C(C=C1)C)=O)=C/Br)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906195 |
