| SpectraBase Spectrum ID |
BkUpAL0NwbA |
| Name |
2-Propenal, 3-(2-ethenylcyclopropyl)-, [1S-[1.alpha.(E),2.beta.]]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
122.073164941 u |
| Formula |
C8H10O |
| InChI |
InChI=1S/C8H10O/c1-2-7-6-8(7)4-3-5-9/h2-5,7-8H,1,6H2/b4-3+/t7-,8+/m0/s1 |
| InChIKey |
PGWFTYNLOGZJEM-XMYQNILUSA-N |
| Molecular Weight |
122.167 g/mol |
| SMILES |
[C@]1([C@@](C=C)(C1)[H])(\C=C\C=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963087 |
![2-Propenal, 3-(2-ethenylcyclopropyl)-, [1S-[1.alpha.(E),2.beta.]]-](/api/spectrum/BkUpAL0NwbA/structure.png?h=300&w=458 "2-Propenal, 3-(2-ethenylcyclopropyl)-, [1S-[1.alpha.(E),2.beta.]]-")
