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4-Bromophenethyl alcohol, tert.-butyl ether

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

4-Bromophenethyl alcohol, tert.-butyl ether
SpectraBase Compound ID 9iK20ifX9O
InChI InChI=1S/C12H17BrO/c1-12(2,3)14-9-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3
InChIKey ORYHUWDUUFZPJL-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 CEZuksrJf49
Name 4-Bromophenethyl alcohol, tert.-butyl 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/c1-12(2,3)14-9-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3
InChIKey ORYHUWDUUFZPJL-UHFFFAOYSA-N
Molecular Weight 257.171 g/mol
SMILES C1(=CC=C(C=C1)Br)CCOC(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932003