| SpectraBase Compound ID | 3LjxH9EmV6N |
|---|---|
| InChI | InChI=1S/C10H8O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h2-7H,1H2 |
| InChIKey | YJLPLPPKJJWHBS-UHFFFAOYSA-N |
| Mol Weight | 176.17 g/mol |
| Molecular Formula | C10H8O3 |
| Exact Mass | 176.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EyzFPLHA83m |
|---|---|
| Name | 2-Keto-2-phenyl-acetic acid vinyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.047344115 u |
| Formula | C10H8O3 |
| InChI | InChI=1S/C10H8O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h2-7H,1H2 |
| InChIKey | YJLPLPPKJJWHBS-UHFFFAOYSA-N |
| Molecular Weight | 176.171 g/mol |
| SMILES | C(C(=O)OC=C)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920483 |