| SpectraBase Spectrum ID |
D9vgMLlqTem |
| Name |
1-(4-Fluorophenyl)-4,4-dimethylpentan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.126343329 u |
| Formula |
C13H17FO |
| InChI |
InChI=1S/C13H17FO/c1-13(2,3)9-12(15)8-10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3 |
| InChIKey |
IEZLNDQIGJDDDB-UHFFFAOYSA-N |
| Molecular Weight |
208.276 g/mol |
| SMILES |
C=1C=C(CC(CC(C)(C)C)=O)C=CC1F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823885 |
