| SpectraBase Spectrum ID |
HQN94CYx9aV |
| Name |
2-Heptyl-3-[(E)-hex-1-enyl]-2H-furan-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.208930140 u |
| Formula |
C17H28O2 |
| InChI |
InChI=1S/C17H28O2/c1-3-5-7-9-11-13-16-15(14-17(18)19-16)12-10-8-6-4-2/h10,12,14,16H,3-9,11,13H2,1-2H3/b12-10+ |
| InChIKey |
MNOWYEGPFIYWRM-ZRDIBKRKSA-N |
| Molecular Weight |
264.409 g/mol |
| SMILES |
C1(OC(CCCCCCC)C(=C1)\C=C\CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976558 |
![2-Heptyl-3-[(E)-hex-1-enyl]-2H-furan-5-one](/api/spectrum/HQN94CYx9aV/structure.png?h=300&w=458 "2-Heptyl-3-[(E)-hex-1-enyl]-2H-furan-5-one")
