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4-Bromophenethyl alcohol, 1-methylpropyl ether

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

4-Bromophenethyl alcohol, 1-methylpropyl ether
SpectraBase Compound ID DsTruFOlGMY
InChI InChI=1S/C12H17BrO/c1-3-10(2)14-9-8-11-4-6-12(13)7-5-11/h4-7,10H,3,8-9H2,1-2H3
InChIKey RSUATPJEUGFIAL-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 UzLwG491Vx
Name 4-Bromophenethyl alcohol, 1-methylpropyl 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/c1-3-10(2)14-9-8-11-4-6-12(13)7-5-11/h4-7,10H,3,8-9H2,1-2H3
InChIKey RSUATPJEUGFIAL-UHFFFAOYSA-N
Molecular Weight 257.171 g/mol
SMILES C1(=CC=C(C=C1)Br)CCOC(CC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932864