| SpectraBase Spectrum ID |
F0hZLKvrGZD |
| Name |
(E)-3,7-Dimethyl-2-octenoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
184.146329882 u |
| Formula |
C11H20O2 |
| InChI |
InChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h8-9H,5-7H2,1-4H3/b10-8+ |
| InChIKey |
PIRMOXUMSSMOIM-CSKARUKUSA-N |
| Molecular Weight |
184.279 g/mol |
| Nominal Mass |
184 u |
| SMILES |
C(\C=C/(C)CCCC(C)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.990678 |
