| SpectraBase Spectrum ID |
5TrxyO2Pv1j |
| Name |
(4-Methylphenyl)-(3,4,4,5-tetramethyl-5-oxidanyl-pyrazol-1-yl)methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.152477890 u |
| Formula |
C15H20N2O2 |
| InChI |
InChI=1S/C15H20N2O2/c1-10-6-8-12(9-7-10)13(18)17-15(5,19)14(3,4)11(2)16-17/h6-9,19H,1-5H3 |
| InChIKey |
YXIBPSMKHVALOY-UHFFFAOYSA-N |
| Molecular Weight |
260.337 g/mol |
| SMILES |
C1(N(N=C(C1(C)C)C)C(C=1C=CC(=CC1)C)=O)(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862423 |
