| SpectraBase Compound ID | 6EVITQSklPx |
|---|---|
| InChI | InChI=1S/C12H15BrO3/c1-4-8(2)9-5-6-11(10(13)7-9)16-12(14)15-3/h5-8H,4H2,1-3H3 |
| InChIKey | PCDUSCDRVHQAOK-UHFFFAOYSA-N |
| Mol Weight | 287.15 g/mol |
| Molecular Formula | C12H15BrO3 |
| Exact Mass | 286.020457 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8upjPv80lyP |
|---|---|
| Name | 2-Bromo-4-sec-butylphenol, o-methoxycarbonyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.020457340 u |
| Formula | C12H15BrO3 |
| InChI | InChI=1S/C12H15BrO3/c1-4-8(2)9-5-6-11(10(13)7-9)16-12(14)15-3/h5-8H,4H2,1-3H3 |
| InChIKey | PCDUSCDRVHQAOK-UHFFFAOYSA-N |
| SMILES | C(CC)(C)C1=CC(Br)=C(C=C1)OC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91484 |