| SpectraBase Spectrum ID |
EzZ4dSXn9IB |
| Name |
Trifluoroacetyl-lavandulol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.118064274 u |
| Formula |
C12H17F3O2 |
| InChI |
InChI=1S/C12H17F3O2/c1-8(2)5-6-10(9(3)4)7-17-11(16)12(13,14)15/h5,10H,3,6-7H2,1-2,4H3 |
| InChIKey |
NMBAKMPLONJXSQ-UHFFFAOYSA-N |
| Molecular Weight |
250.261 g/mol |
| SMILES |
CC(=CCC(C(=C)C)COC(=O)C(F)(F)F)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971173 |
