| SpectraBase Spectrum ID |
8fpMxHZUCiF |
| Name |
Trans-4-isopropyl-3-methyl-1,5-diphenyl-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 |
278.178298716 u |
| Formula |
C19H22N2 |
| InChI |
InChI=1S/C19H22N2/c1-14(2)18-15(3)20-21(17-12-8-5-9-13-17)19(18)16-10-6-4-7-11-16/h4-14,18-19H,1-3H3/t18-,19+/m0/s1 |
| InChIKey |
XHTPTOAVZGLRII-RBUKOAKNSA-N |
| Molecular Weight |
278.399 g/mol |
| SMILES |
C1(=NN([C@@]([C@]1(C(C)C)[H])(C1=CC=CC=C1)[H])C=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92968 |
