| SpectraBase Compound ID | 9FBzYNjMXMr |
|---|---|
| InChI | InChI=1S/C9H8O4/c1-6(10)13-7-2-3-8-9(4-7)12-5-11-8/h2-4H,5H2,1H3 |
| InChIKey | QNJMUNKUQDDPCI-UHFFFAOYSA-N |
| Mol Weight | 180.16 g/mol |
| Molecular Formula | C9H8O4 |
| Exact Mass | 180.042259 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7Sz8SAMXl2n |
|---|---|
| Name | 1,3-Benzodioxol-5-ol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.042258734 u |
| Formula | C9H8O4 |
| InChI | InChI=1S/C9H8O4/c1-6(10)13-7-2-3-8-9(4-7)12-5-11-8/h2-4H,5H2,1H3 |
| InChIKey | QNJMUNKUQDDPCI-UHFFFAOYSA-N |
| Molecular Weight | 180.159 g/mol |
| SMILES | C1(OC(C)=O)=CC2=C(C=C1)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954311 |