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 |