| SpectraBase Compound ID | 7vkwlhMqNSn |
|---|---|
| InChI | InChI=1S/C8H6O4/c9-3-5-1-7-8(2-6(5)10)12-4-11-7/h1-3,10H,4H2 |
| InChIKey | SXMMQAVECVAGBF-UHFFFAOYSA-N |
| Mol Weight | 166.13 g/mol |
| Molecular Formula | C8H6O4 |
| Exact Mass | 166.026609 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Badfpehblt2 |
|---|---|
| Name | 2-Hydroxy-4,5-methylenedioxybenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.026608669 u |
| Formula | C8H6O4 |
| InChI | InChI=1S/C8H6O4/c9-3-5-1-7-8(2-6(5)10)12-4-11-7/h1-3,10H,4H2 |
| InChIKey | SXMMQAVECVAGBF-UHFFFAOYSA-N |
| Molecular Weight | 166.132 g/mol |
| SMILES | C(C=1C(=CC2=C(C1)OCO2)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953655 |