| SpectraBase Spectrum ID |
417fijA3eoP |
| Name |
1H-Pyrazol-5-ol, 1-(4-chlorobenzoyl)-4,5-dihydro-3,4,4,5-tetramethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.097855493 u |
| Formula |
C14H17ClN2O2 |
| InChI |
InChI=1S/C14H17ClN2O2/c1-9-13(2,3)14(4,19)17(16-9)12(18)10-5-7-11(15)8-6-10/h5-8,19H,1-4H3 |
| InChIKey |
MIWAQSWOEQHXAK-UHFFFAOYSA-N |
| SMILES |
C1(N(N=C(C1(C)C)C)C(C1=CC=C(C=C1)Cl)=O)(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867393 |
