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2-(4-Bromophenoxy)ethanol, N-butyl ether
SpectraBase Compound ID GI4ZRUhJ5I2
InChI InChI=1S/C12H17BrO2/c1-2-3-8-14-9-10-15-12-6-4-11(13)5-7-12/h4-7H,2-3,8-10H2,1H3
InChIKey VCYIYJQUZWBKPG-UHFFFAOYSA-N
Mol Weight 273.17 g/mol
Molecular Formula C12H17BrO2
Exact Mass 272.041193 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2XvgTXzXUaR
Name 2-(4-Bromophenoxy)ethanol, N-butyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.041192785 u
Formula C12H17BrO2
InChI InChI=1S/C12H17BrO2/c1-2-3-8-14-9-10-15-12-6-4-11(13)5-7-12/h4-7H,2-3,8-10H2,1H3
InChIKey VCYIYJQUZWBKPG-UHFFFAOYSA-N
Molecular Weight 273.170 g/mol
SMILES C1=C(C=CC(=C1)Br)OCCOCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969774