| SpectraBase Compound ID | 9KxriBnbxPO |
|---|---|
| InChI | InChI=1S/C10H10F2O2/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6,9H,2H2,1H3 |
| InChIKey | WISBDSSXPQJMIG-UHFFFAOYSA-N |
| Mol Weight | 200.18 g/mol |
| Molecular Formula | C10H10F2O2 |
| Exact Mass | 200.064886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KDMgPRc4doS |
|---|---|
| Name | Ethyl 4-(difluoromethyl)benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.064885886 u |
| Formula | C10H10F2O2 |
| InChI | InChI=1S/C10H10F2O2/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6,9H,2H2,1H3 |
| InChIKey | WISBDSSXPQJMIG-UHFFFAOYSA-N |
| Molecular Weight | 200.185 g/mol |
| SMILES | C=1C=C(C(F)F)C=CC1C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931779 |