| SpectraBase Spectrum ID |
KCIJL7JmZ1l |
| Name |
2-Ethylbutyric acid, 2,7-dimethyloct-5-yn-7-en-4-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.193280075 u |
| Formula |
C16H26O2 |
| InChI |
InChI=1S/C16H26O2/c1-7-14(8-2)16(17)18-15(11-13(5)6)10-9-12(3)4/h13-15H,3,7-8,11H2,1-2,4-6H3 |
| InChIKey |
PYQCSGVKEUPUGV-UHFFFAOYSA-N |
| Molecular Weight |
250.382 g/mol |
| SMILES |
C(C(OC(C#CC(=C)C)CC(C)C)=O)(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971836 |
