SpectraBase Compound ID | B9o23IPQzzE |
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InChI | InChI=1S/C13H19BrO2/c1-4-10(2)8-16-9-11-7-12(14)5-6-13(11)15-3/h5-7,10H,4,8-9H2,1-3H3 |
InChIKey | REOLOZOLLJIZLG-UHFFFAOYSA-N |
Mol Weight | 287.2 g/mol |
Molecular Formula | C13H19BrO2 |
Exact Mass | 286.056843 g/mol |
SpectraBase Spectrum ID | C3dXCNRdszj |
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Name | 5-Bromo-2-methoxybenzyl alcohol, 2-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/c1-4-10(2)8-16-9-11-7-12(14)5-6-13(11)15-3/h5-7,10H,4,8-9H2,1-3H3 |
InChIKey | REOLOZOLLJIZLG-UHFFFAOYSA-N |
SMILES | C1=C(C(=CC=C1Br)OC)COCC(CC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.869093 |