SpectraBase Spectrum ID |
CWtZWRax8wM |
Name |
2-Cyclopenten-1-one, 4-(7-hydroxy-1-octenyl)-, [R-[R*,R*-(E)]]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
208.146329882 u |
Formula |
C13H20O2 |
InChI |
InChI=1S/C13H20O2/c1-11(14)6-4-2-3-5-7-12-8-9-13(15)10-12/h5,7-9,11-12,14H,2-4,6,10H2,1H3/b7-5+/t11-,12-/m1/s1 |
InChIKey |
LFHJLEVNNCGJEM-ONYUAGEFSA-N |
Molecular Weight |
208.301 g/mol |
SMILES |
C1=C[C@@](\C=C\CCCC[C@](O)(C)[H])(CC1=O)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821847 |