| SpectraBase Compound ID | A5ghX01gtcj |
|---|---|
| InChI | InChI=1S/C10H10O3/c1-10(2)12-8-4-3-7(6-11)5-9(8)13-10/h3-6H,1-2H3 |
| InChIKey | DVERJBIPBLPJQR-UHFFFAOYSA-N |
| Mol Weight | 178.19 g/mol |
| Molecular Formula | C10H10O3 |
| Exact Mass | 178.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E9980jJJRdd |
|---|---|
| Name | 5-Formyl-2,2-dimethyl-1,3-benzodioxole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.062994179 u |
| Formula | C10H10O3 |
| InChI | InChI=1S/C10H10O3/c1-10(2)12-8-4-3-7(6-11)5-9(8)13-10/h3-6H,1-2H3 |
| InChIKey | DVERJBIPBLPJQR-UHFFFAOYSA-N |
| Molecular Weight | 178.187 g/mol |
| SMILES | C12=CC=C(C=C2OC(O1)(C)C)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978731 |