| SpectraBase Compound ID | 9eIB9XG7ghf |
|---|---|
| InChI | InChI=1S/C9H8F2O2/c10-9(11)13-8(12)6-7-4-2-1-3-5-7/h1-5,9H,6H2 |
| InChIKey | YVPMVEZEJHVKDK-UHFFFAOYSA-N |
| Mol Weight | 186.16 g/mol |
| Molecular Formula | C9H8F2O2 |
| Exact Mass | 186.049236 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2khWUQHzrCZ |
|---|---|
| Name | Benzeneacetic acid, difluoromethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.049235822 u |
| Formula | C9H8F2O2 |
| InChI | InChI=1S/C9H8F2O2/c10-9(11)13-8(12)6-7-4-2-1-3-5-7/h1-5,9H,6H2 |
| InChIKey | YVPMVEZEJHVKDK-UHFFFAOYSA-N |
| Molecular Weight | 186.158 g/mol |
| SMILES | C(OC(F)F)(=O)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894104 |