SpectraBase Spectrum ID |
1A0FDNLSbTO |
Name |
4-Bromophenethyl alcohol, 2-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/c1-10(2)9-14-8-7-11-3-5-12(13)6-4-11/h3-6,10H,7-9H2,1-2H3 |
InChIKey |
HGETUVPCEZXXHY-UHFFFAOYSA-N |
Molecular Weight |
257.171 g/mol |
SMILES |
C1(=CC=C(C=C1)Br)CCOCC(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874916 |