| SpectraBase Compound ID | 8YUqTUnv4oM |
|---|---|
| InChI | InChI=1S/C10H12O3/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,6-7H,5H2,1-2H3 |
| InChIKey | RIVVYJWUHXMGSK-UHFFFAOYSA-N |
| Mol Weight | 180.2 g/mol |
| Molecular Formula | C10H12O3 |
| Exact Mass | 180.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FzxSosQYCtq |
|---|---|
| Name | Benzeneacetaldehyde, 3,4-dimethoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.078644243 u |
| Formula | C10H12O3 |
| InChI | InChI=1S/C10H12O3/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,6-7H,5H2,1-2H3 |
| InChIKey | RIVVYJWUHXMGSK-UHFFFAOYSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | C1=C(C(=CC(=C1)CC=O)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971523 |