| SpectraBase Compound ID | F5umO9jTWnE |
|---|---|
| InChI | InChI=1S/C10H8O4/c1-6(11)10(12)7-2-3-8-9(4-7)14-5-13-8/h2-4H,5H2,1H3 |
| InChIKey | FGXKZQWZZVCYBF-UHFFFAOYSA-N |
| Mol Weight | 192.17 g/mol |
| Molecular Formula | C10H8O4 |
| Exact Mass | 192.042259 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7VXCE1uGqTQ |
|---|---|
| Name | 1,2-Propanedione,1-(3,4-methylenedioxy)phenyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.042258734 u |
| Formula | C10H8O4 |
| InChI | InChI=1S/C10H8O4/c1-6(11)10(12)7-2-3-8-9(4-7)14-5-13-8/h2-4H,5H2,1H3 |
| InChIKey | FGXKZQWZZVCYBF-UHFFFAOYSA-N |
| Molecular Weight | 192.170 g/mol |
| SMILES | C(C(C)=O)(=O)C1=CC2=C(C=C1)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868329 |