| SpectraBase Compound ID | ASB3BrnpdNw |
|---|---|
| InChI | InChI=1S/C13H19BrO2/c1-3-4-5-8-16-10-11-9-12(14)6-7-13(11)15-2/h6-7,9H,3-5,8,10H2,1-2H3 |
| InChIKey | UXVKLQOUBHZJHY-UHFFFAOYSA-N |
| Mol Weight | 287.2 g/mol |
| Molecular Formula | C13H19BrO2 |
| Exact Mass | 286.056843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GwncLhJG5Xd |
|---|---|
| Name | 5-Bromo-2-methoxybenzyl alcohol, N-pentyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.056842850 u |
| Formula | C13H19BrO2 |
| InChI | InChI=1S/C13H19BrO2/c1-3-4-5-8-16-10-11-9-12(14)6-7-13(11)15-2/h6-7,9H,3-5,8,10H2,1-2H3 |
| InChIKey | UXVKLQOUBHZJHY-UHFFFAOYSA-N |
| SMILES | C1=C(C(=CC=C1Br)OC)COCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.828822 |