| SpectraBase Compound ID | 3GZzhxB4Ux0 |
|---|---|
| InChI | InChI=1S/C9H7F3O/c10-8-5-6-3-1-2-4-7(6)13-9(8,11)12/h1-4,8H,5H2 |
| InChIKey | PJWWDZJJUAIKII-UHFFFAOYSA-N |
| Mol Weight | 188.15 g/mol |
| Molecular Formula | C9H7F3O |
| Exact Mass | 188.044899 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9J6oVWFquP1 |
|---|---|
| Name | 2,2,3-Trifluoro-3,4-dihydro-2H-1-benzopyran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.044899333 u |
| Formula | C9H7F3O |
| InChI | InChI=1S/C9H7F3O/c10-8-5-6-3-1-2-4-7(6)13-9(8,11)12/h1-4,8H,5H2 |
| InChIKey | PJWWDZJJUAIKII-UHFFFAOYSA-N |
| Molecular Weight | 188.149 g/mol |
| SMILES | C1(OC2=CC=CC=C2CC1F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830334 |