| SpectraBase Compound ID | G0L4XRQxizh |
|---|---|
| InChI | InChI=1S/C13H17BrO3/c1-4-9(3)10-6-7-12(11(14)8-10)17-13(15)16-5-2/h6-9H,4-5H2,1-3H3 |
| InChIKey | HMCWOHAURMOJAZ-UHFFFAOYSA-N |
| Mol Weight | 301.18 g/mol |
| Molecular Formula | C13H17BrO3 |
| Exact Mass | 300.036107 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | j7e6uCiMFW |
|---|---|
| Name | 2-Bromo-4-sec-butylphenol, o-ethoxycarbonyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.036107404 u |
| Formula | C13H17BrO3 |
| InChI | InChI=1S/C13H17BrO3/c1-4-9(3)10-6-7-12(11(14)8-10)17-13(15)16-5-2/h6-9H,4-5H2,1-3H3 |
| InChIKey | HMCWOHAURMOJAZ-UHFFFAOYSA-N |
| SMILES | C(CC)(C)C1=CC(Br)=C(C=C1)OC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877685 |