| SpectraBase Compound ID | JQpyW4im9J5 |
|---|---|
| InChI | InChI=1S/C12H12O4/c1-4-10-5-6-11(15-8(2)13)12(7-10)16-9(3)14/h4-7H,1H2,2-3H3 |
| InChIKey | BGDWDFVUSUCDHI-UHFFFAOYSA-N |
| Mol Weight | 220.22 g/mol |
| Molecular Formula | C12H12O4 |
| Exact Mass | 220.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2qkFOcGbyIF |
|---|---|
| Name | 3,4-Diacetoxystyrene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.073558862 u |
| Formula | C12H12O4 |
| InChI | InChI=1S/C12H12O4/c1-4-10-5-6-11(15-8(2)13)12(7-10)16-9(3)14/h4-7H,1H2,2-3H3 |
| InChIKey | BGDWDFVUSUCDHI-UHFFFAOYSA-N |
| Molecular Weight | 220.224 g/mol |
| SMILES | C=CC1=CC(=C(C=C1)OC(=O)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.801794 |