| SpectraBase Spectrum ID |
L7r2Yhryppx |
| Name |
3-Octenoic acid, 4-methyl-2-pentyl ester |
| 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/c1-5-6-7-8-9-10-14(15)16-13(4)11-12(2)3/h8-9,12-13H,5-7,10-11H2,1-4H3/b9-8+ |
| InChIKey |
HCTGXNACTPGUST-CMDGGOBGSA-N |
| Molecular Weight |
226.360 g/mol |
| SMILES |
C(\C=C\CCCC)C(OC(CC(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978405 |
