| SpectraBase Compound ID | 6GnriOVqdNw |
|---|---|
| InChI | InChI=1S/C9H4O5/c10-8-4-1-2-5-7(13-3-12-5)6(4)9(11)14-8/h1-2H,3H2 |
| InChIKey | WZNIHSFXAWSFRF-UHFFFAOYSA-N |
| Mol Weight | 192.13 g/mol |
| Molecular Formula | C9H4O5 |
| Exact Mass | 192.005873 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jfip2XZSRBm |
|---|---|
| Name | 1,3-Isobenzofurandione, 4,5-methylenedioxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.005873224 u |
| Formula | C9H4O5 |
| InChI | InChI=1S/C9H4O5/c10-8-4-1-2-5-7(13-3-12-5)6(4)9(11)14-8/h1-2H,3H2 |
| InChIKey | WZNIHSFXAWSFRF-UHFFFAOYSA-N |
| Molecular Weight | 192.126 g/mol |
| SMILES | C12=C(C=CC3=C2OCO3)C(=O)OC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921568 |