| SpectraBase Spectrum ID |
8rzRpfAfmST |
| Name |
1-Phenyl-1-hexyn-3-ol, chlorodifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.057213683 u |
| Formula |
C14H13ClF2O2 |
| InChI |
InChI=1S/C14H13ClF2O2/c1-2-6-12(19-13(18)14(15,16)17)10-9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6H2,1H3 |
| InChIKey |
GBSABFMUXBZKTD-UHFFFAOYSA-N |
| Molecular Weight |
286.706 g/mol |
| SMILES |
C1=CC=C(C=C1)C#CC(OC(C(F)(F)Cl)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938933 |
