| SpectraBase Compound ID | Ek5jvbrF2HK |
|---|---|
| InChI | InChI=1S/C9H8O2/c1-2-7-3-4-8-9(5-7)11-6-10-8/h2-5H,1,6H2 |
| InChIKey | VWAVZAMMNJMAEM-UHFFFAOYSA-N |
| Mol Weight | 148.16 g/mol |
| Molecular Formula | C9H8O2 |
| Exact Mass | 148.052429 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 64G6Mkbf4oJ |
|---|---|
| Name | 3,4-Methylenedioxystyrene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.052429496 u |
| Formula | C9H8O2 |
| InChI | InChI=1S/C9H8O2/c1-2-7-3-4-8-9(5-7)11-6-10-8/h2-5H,1,6H2 |
| InChIKey | VWAVZAMMNJMAEM-UHFFFAOYSA-N |
| Molecular Weight | 148.161 g/mol |
| SMILES | C1=2C(=CC=C(C2)C=C)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947291 |