| SpectraBase Compound ID | 5uqyUeNGI7V |
|---|---|
| InChI | InChI=1S/C8H7FO3/c1-11-8(10)12-7-5-3-2-4-6(7)9/h2-5H,1H3 |
| InChIKey | DHXNHBALTGZEEK-UHFFFAOYSA-N |
| Mol Weight | 170.14 g/mol |
| Molecular Formula | C8H7FO3 |
| Exact Mass | 170.037922 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 54CVEub7Pcu |
|---|---|
| Name | Carbonic acid, methyl 2-fluorophenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.037922245 u |
| Formula | C8H7FO3 |
| InChI | InChI=1S/C8H7FO3/c1-11-8(10)12-7-5-3-2-4-6(7)9/h2-5H,1H3 |
| InChIKey | DHXNHBALTGZEEK-UHFFFAOYSA-N |
| Molecular Weight | 170.139 g/mol |
| SMILES | COC(OC1=C(C=CC=C1)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913697 |