| SpectraBase Compound ID | 2oisOBDsF5Z |
|---|---|
| InChI | InChI=1S/C11H15BrO/c1-10(7-8-12)13-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3 |
| InChIKey | IIDVYKUHAKECPP-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 | 7AElCg6tYsh |
|---|---|
| Name | (R,S)-1-Bromo3-o-benzylbutane-3-ol |
| 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/c1-10(7-8-12)13-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3 |
| InChIKey | IIDVYKUHAKECPP-UHFFFAOYSA-N |
| Molecular Weight | 243.144 g/mol |
| SMILES | C(OCC1=CC=CC=C1)(C)CCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.882758 |