| SpectraBase Compound ID | Ly4WWFOb73p |
|---|---|
| InChI | InChI=1S/C6H6F3IO3/c1-2-12-4(11)5(10)3(13-5)6(7,8)9/h3H,2H2,1H3 |
| InChIKey | XQKXYNOBBCZYKN-UHFFFAOYSA-N |
| Mol Weight | 310.01 g/mol |
| Molecular Formula | C6H6F3IO3 |
| Exact Mass | 309.931374 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HaIxRK7vOlE |
|---|---|
| Name | Ethyl 3-trifluoromethyl-2-iodooxirane-2-carboxylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.931373539 u |
| Formula | C6H6F3IO3 |
| InChI | InChI=1S/C6H6F3IO3/c1-2-12-4(11)5(10)3(13-5)6(7,8)9/h3H,2H2,1H3 |
| InChIKey | XQKXYNOBBCZYKN-UHFFFAOYSA-N |
| Molecular Weight | 310.011 g/mol |
| SMILES | C1(C(C(F)(F)F)O1)(C(=O)OCC)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972145 |