SpectraBase Spectrum ID |
33K0wDxiuAI |
Name |
(R, Z)-2-(4-(4-Bromobenzylidene)tetrahydrofuran-3-yl)acetaldehyde |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
280.009892657 u |
Formula |
C13H13BrO2 |
InChI |
InChI=1S/C13H13BrO2/c14-13-3-1-10(2-4-13)7-12-9-16-8-11(12)5-6-15/h1-4,6-7,11H,5,8-9H2/b12-7+/t11-/m0/s1 |
InChIKey |
RTMDJYWDJGKZGQ-WBOGTDJTSA-N |
SMILES |
C(C[C@]1(COC\C1=C\C=1C=CC(=CC1)Br)[H])=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949678 |