| SpectraBase Spectrum ID |
7QSkpALwN9h |
| Name |
(2rs)-2,7-Dimethyl-octa-2,6-dienoic_acid_methylester;E-isomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
182.130679818 u |
| Formula |
C11H18O2 |
| InChI |
InChI=1S/C11H18O2/c1-9(2)7-5-6-8-10(3)11(12)13-4/h7-8H,5-6H2,1-4H3/b10-8+ |
| InChIKey |
KPAGCKZCXNAZPD-CSKARUKUSA-N |
| Molecular Weight |
182.263 g/mol |
| SMILES |
C(=O)(\C(=C\CCC=C(C)C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971476 |
