| SpectraBase Compound ID | LEYsciKgjTg |
|---|---|
| InChI | InChI=1S/C11H15BrO/c1-11(2,3)13-8-9-5-4-6-10(12)7-9/h4-7H,8H2,1-3H3 |
| InChIKey | VHQMJBMYCNCTDK-UHFFFAOYSA-N |
| Mol Weight | 243.14 g/mol |
| Molecular Formula | C11H15BrO |
| Exact Mass | 242.030628 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EfbUHFagk2k |
|---|---|
| Name | 3-Bromobenzyl alcohol, tert.-butyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.030628102 u |
| Formula | C11H15BrO |
| InChI | InChI=1S/C11H15BrO/c1-11(2,3)13-8-9-5-4-6-10(12)7-9/h4-7H,8H2,1-3H3 |
| InChIKey | VHQMJBMYCNCTDK-UHFFFAOYSA-N |
| Molecular Weight | 243.144 g/mol |
| SMILES | C1=C(C=CC=C1COC(C)(C)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.897075 |