| SpectraBase Compound ID | Ao34NL1xi54 |
|---|---|
| InChI | InChI=1S/C13H19BrO3/c1-8(2)11-10(15-3)6-9(7-14)12(16-4)13(11)17-5/h6,8H,7H2,1-5H3 |
| InChIKey | QTQWJTGKISZJRU-UHFFFAOYSA-N |
| Mol Weight | 303.2 g/mol |
| Molecular Formula | C13H19BrO3 |
| Exact Mass | 302.051757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FqW83LeotqP |
|---|---|
| Name | 2-(1-Methylethyl)-1,3,4-trimethoxy-5-bromomethylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.051757469 u |
| Formula | C13H19BrO3 |
| InChI | InChI=1S/C13H19BrO3/c1-8(2)11-10(15-3)6-9(7-14)12(16-4)13(11)17-5/h6,8H,7H2,1-5H3 |
| InChIKey | QTQWJTGKISZJRU-UHFFFAOYSA-N |
| SMILES | C1(=C(C(OC)=CC(=C1OC)CBr)C(C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938478 |