| SpectraBase Compound ID | GDL5SUvYuM |
|---|---|
| InChI | InChI=1S/C13H23F3O2/c1-3-5-7-9-11(10-8-6-4-2)18-12(17)13(14,15)16/h11H,3-10H2,1-2H3 |
| InChIKey | KHUAZKKGMZXALV-UHFFFAOYSA-N |
| Mol Weight | 268.32 g/mol |
| Molecular Formula | C13H23F3O2 |
| Exact Mass | 268.165014 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Eh8vYBYamjj |
|---|---|
| Name | Trifluoroacetic acid, 6-undecyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.165014468 u |
| Formula | C13H23F3O2 |
| InChI | InChI=1S/C13H23F3O2/c1-3-5-7-9-11(10-8-6-4-2)18-12(17)13(14,15)16/h11H,3-10H2,1-2H3 |
| InChIKey | KHUAZKKGMZXALV-UHFFFAOYSA-N |
| Molecular Weight | 268.320 g/mol |
| SMILES | C(F)(F)(F)C(OC(CCCCC)CCCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.874739 |