| SpectraBase Spectrum ID |
IBwC5Lk0dRP |
| Name |
1-(4-Methoxy-2,3,5,6-tetrafluorophenyl)-3-methoxy-1-propyne |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.046042148 u |
| Formula |
C11H8F4O2 |
| InChI |
InChI=1S/C11H8F4O2/c1-16-5-3-4-6-7(12)9(14)11(17-2)10(15)8(6)13/h5H2,1-2H3 |
| InChIKey |
KBCFQOPECHLOJU-UHFFFAOYSA-N |
| Molecular Weight |
248.177 g/mol |
| SMILES |
COCC#CC1=C(F)C(F)=C(C(F)=C1F)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847139 |
