| SpectraBase Spectrum ID |
7tdIHaPnKi2 |
| Name |
(Z)-.alpha.-(1-Hexylpentylidene)-.beta.-(N-pentyl)-.beta.-lactone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.224580204 u |
| Formula |
C19H30O2 |
| InChI |
InChI=1S/C19H30O2/c1-4-7-10-12-14-16(13-9-6-3)18-17(21-19(18)20)15-11-8-5-2/h17H,4-11,13,15H2,1-3H3/b18-16- |
| InChIKey |
JSBTYAUPQOBQKG-VLGSPTGOSA-N |
| SMILES |
C1(\C(C(O1)CCCCC)=C/(C#CCCCC)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960717 |
