| SpectraBase Compound ID | 9Sn4sRBx697 |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-13(2,3)10-6-9(8-14)7-11(15-4)12(10)16-5/h6-8H,1-5H3 |
| InChIKey | RZSRNWZXHGIRAS-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 | 98d9ExewfI5 |
|---|---|
| Name | 5-T-Butyl-3,4-dimethoxybenzaldehyde |
| 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/c1-13(2,3)10-6-9(8-14)7-11(15-4)12(10)16-5/h6-8H,1-5H3 |
| InChIKey | RZSRNWZXHGIRAS-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(C=1C=C(C(=C(C1)C(C)(C)C)OC)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914599 |