| SpectraBase Compound ID | 1QrgBzMnaCO |
|---|---|
| InChI | InChI=1S/C13H19BrO/c1-11(2)7-9-15-10-8-12-5-3-4-6-13(12)14/h3-6,11H,7-10H2,1-2H3 |
| InChIKey | LZIADSHZHGEISY-UHFFFAOYSA-N |
| Mol Weight | 271.2 g/mol |
| Molecular Formula | C13H19BrO |
| Exact Mass | 270.061928 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BhMA07mQKxW |
|---|---|
| Name | 2-Bromophenethyl alcohol, 3-methylbutyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.061928231 u |
| Formula | C13H19BrO |
| InChI | InChI=1S/C13H19BrO/c1-11(2)7-9-15-10-8-12-5-3-4-6-13(12)14/h3-6,11H,7-10H2,1-2H3 |
| InChIKey | LZIADSHZHGEISY-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC=C1)Br)CCOCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.856806 |