| SpectraBase Spectrum ID |
Aw139bxc5He |
| Name |
2-Octen-1-ol, 3,7-dimethyl-, isobutyrate, (Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.193280075 u |
| Formula |
C14H26O2 |
| InChI |
InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h9,11-12H,6-8,10H2,1-5H3/b13-9- |
| InChIKey |
BPPLLUJIDJAZFE-LCYFTJDESA-N |
| Molecular Weight |
226.360 g/mol |
| SMILES |
CC(C(OC\C=C/(CCCC(C)C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974797 |
