| SpectraBase Spectrum ID |
JzSdzy2gNUV |
| Name |
4-Hexen-3-ol, 2,2-dichloro-1,1,1-trifluoro-5-methyl-, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.008819481 u |
| Formula |
C9H11Cl2F3O2 |
| InChI |
InChI=1S/C9H11Cl2F3O2/c1-5(2)4-7(16-6(3)15)8(10,11)9(12,13)14/h4,7H,1-3H3 |
| InChIKey |
DAWFVGOTLHOZSU-UHFFFAOYSA-N |
| Molecular Weight |
279.086 g/mol |
| SMILES |
C(C(F)(F)F)(C(C=C(C)C)OC(=O)C)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918944 |
