| SpectraBase Compound ID | EfpiPhCao87 |
|---|---|
| InChI | InChI=1S/C10H5F3O2/c11-10(12,13)7-5-6-3-1-2-4-8(6)15-9(7)14/h1-5H |
| InChIKey | GKWWIZOKXSWGTQ-UHFFFAOYSA-N |
| Mol Weight | 214.14 g/mol |
| Molecular Formula | C10H5F3O2 |
| Exact Mass | 214.024164 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | J1LYmaLreQC |
|---|---|
| Name | 3-(Trifluoromethyl)-2H-1-benzopyran-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.024163888 u |
| Formula | C10H5F3O2 |
| InChI | InChI=1S/C10H5F3O2/c11-10(12,13)7-5-6-3-1-2-4-8(6)15-9(7)14/h1-5H |
| InChIKey | GKWWIZOKXSWGTQ-UHFFFAOYSA-N |
| Molecular Weight | 214.143 g/mol |
| SMILES | C1(C(=CC=2C(O1)=CC=CC2)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916481 |