| SpectraBase Compound ID | JfqN5yBe7zW |
|---|---|
| InChI | InChI=1S/C13H19BrO2/c1-10(2)6-7-16-9-11-8-12(14)4-5-13(11)15-3/h4-5,8,10H,6-7,9H2,1-3H3 |
| InChIKey | KLDLUEWGICAYSS-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 | CTmNGdn17Fh |
|---|---|
| Name | 5-Bromo-2-methoxybenzyl alcohol, 3-methylbutyl 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/c1-10(2)6-7-16-9-11-8-12(14)4-5-13(11)15-3/h4-5,8,10H,6-7,9H2,1-3H3 |
| InChIKey | KLDLUEWGICAYSS-UHFFFAOYSA-N |
| SMILES | C1=C(C(=CC=C1Br)OC)COCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.806734 |