SpectraBase Spectrum ID |
8DlBfXI5EU4 |
Name |
(1E)-1-Phenyl-3-(2-hydroxyethoxy)-1-butene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
192.115029753 u |
Formula |
C12H16O2 |
InChI |
InChI=1S/C12H16O2/c1-11(14-10-9-13)7-8-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3/b8-7+ |
InChIKey |
FKRBVRSCKGVPEU-BQYQJAHWSA-N |
Molecular Weight |
192.258 g/mol |
SMILES |
C(O)COC(\C=C\C1=CC=CC=C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894366 |