| SpectraBase Spectrum ID |
4EtKdPJX1H3 |
| Name |
(5S)-5-[(1E,3E)-Hexa-1,3-dienyl]-2-oxolanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
166.099379689 u |
| Formula |
C10H14O2 |
| InChI |
InChI=1S/C10H14O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h3-6,9H,2,7-8H2,1H3/b4-3+,6-5+/t9-/m1/s1 |
| InChIKey |
XAUCNYCXHYKSAB-UVFZJDOJSA-N |
| Molecular Weight |
166.220 g/mol |
| SMILES |
C1(O[C@](\C=C\C=C\CC)(CC1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951464 |
![(5S)-5-[(1E,3E)-hexa-1,3-dienyl]-2-oxolanone](/api/spectrum/4EtKdPJX1H3/structure.png?h=300&w=458 "(5S)-5-[(1E,3E)-hexa-1,3-dienyl]-2-oxolanone")
