| SpectraBase Compound ID | 52v3M5NeT4s |
|---|---|
| InChI | InChI=1S/C11H15BrO/c1-9(2)7-13-8-10-4-3-5-11(12)6-10/h3-6,9H,7-8H2,1-2H3 |
| InChIKey | XNJGKDCOPSEZSH-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 | O1y5JzIHzn |
|---|---|
| Name | 3-Bromobenzyl alcohol, 2-methylpropyl 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/c1-9(2)7-13-8-10-4-3-5-11(12)6-10/h3-6,9H,7-8H2,1-2H3 |
| InChIKey | XNJGKDCOPSEZSH-UHFFFAOYSA-N |
| Molecular Weight | 243.144 g/mol |
| SMILES | C1=C(C=CC=C1COCC(C)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849182 |