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2-Bromobenzyl alcohol, 3-methylbutyl ether

View entire compound with spectra: 1 NMR, and 1 FTIR

2-Bromobenzyl alcohol, 3-methylbutyl ether
SpectraBase Compound ID LlrBDOWe9XG
InChI InChI=1S/C12H17BrO/c1-10(2)7-8-14-9-11-5-3-4-6-12(11)13/h3-6,10H,7-9H2,1-2H3
InChIKey WYYVYGQLVMHZEO-UHFFFAOYSA-N
Mol Weight 257.17 g/mol
Molecular Formula C12H17BrO
Exact Mass 256.046278 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GMVIDPkXF3i
Name 2-Bromobenzyl alcohol, 3-methylbutyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.046278166 u
Formula C12H17BrO
InChI InChI=1S/C12H17BrO/c1-10(2)7-8-14-9-11-5-3-4-6-12(11)13/h3-6,10H,7-9H2,1-2H3
InChIKey WYYVYGQLVMHZEO-UHFFFAOYSA-N
Molecular Weight 257.171 g/mol
SMILES C1(=C(C=CC=C1)Br)COCCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880649