| SpectraBase Spectrum ID |
KI16UhKmiM2 |
| Name |
3,7-Dimethylocta-1,2,6-trien-1-yl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.141244501 u |
| Formula |
C13H20O3 |
| InChI |
InChI=1S/C13H20O3/c1-5-15-12(14)16-11-8(2)6-7-9-10(11)13(9,3)4/h9-10H,5-7H2,1-4H3/t9-,10-/m1/s1 |
| InChIKey |
UGNZIBYOESLAMS-NXEZZACHSA-N |
| Molecular Weight |
224.300 g/mol |
| SMILES |
[C@@]12(C(C)(C)[C@@]2(CCC(=C1OC(=O)OCC)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869496 |
