| SpectraBase Compound ID | LIrejtspms8 |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-4-15-13-7-11(8-14)5-6-12(13)16-9-10(2)3/h5-8,10H,4,9H2,1-3H3 |
| InChIKey | BVHHJYYHHQIPCB-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9FbQi60Ogex |
|---|---|
| Name | 3-Ethoxy-4-isobutoxybenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-4-15-13-7-11(8-14)5-6-12(13)16-9-10(2)3/h5-8,10H,4,9H2,1-3H3 |
| InChIKey | BVHHJYYHHQIPCB-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(OC1=C(C=C(C=C1)C=O)OCC)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972711 |