| SpectraBase Compound ID | DHTbyp91wuP |
|---|---|
| InChI | InChI=1S/C7H6O3/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3,8H,4H2 |
| InChIKey | XRSKRSVTUVLURN-UHFFFAOYSA-N |
| Mol Weight | 138.12 g/mol |
| Molecular Formula | C7H6O3 |
| Exact Mass | 138.031694 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ktiudyjk1Uq |
|---|---|
| Name | 1,3-Benzodioxol-4-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.031694050 u |
| Formula | C7H6O3 |
| InChI | InChI=1S/C7H6O3/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3,8H,4H2 |
| InChIKey | XRSKRSVTUVLURN-UHFFFAOYSA-N |
| Molecular Weight | 138.122 g/mol |
| SMILES | C1(O)=CC=CC2=C1OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933223 |