| SpectraBase Compound ID | 6E5HWnOJQjp |
|---|---|
| InChI | InChI=1S/C10H6O3/c1-2-6-4-3-5-7-8(6)10(12)13-9(7)11/h2-5H,1H2 |
| InChIKey | DOWVFPAIJRADGF-UHFFFAOYSA-N |
| Mol Weight | 174.15 g/mol |
| Molecular Formula | C10H6O3 |
| Exact Mass | 174.031694 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 85AvBqeVdvm |
|---|---|
| Name | 4-Ethenylisobenzofuran-1,3-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.031694050 u |
| Formula | C10H6O3 |
| InChI | InChI=1S/C10H6O3/c1-2-6-4-3-5-7-8(6)10(12)13-9(7)11/h2-5H,1H2 |
| InChIKey | DOWVFPAIJRADGF-UHFFFAOYSA-N |
| Molecular Weight | 174.155 g/mol |
| SMILES | C1(OC(=O)C2=C1C(C=C)=CC=C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951354 |