| SpectraBase Spectrum ID |
DE4XJaV4UEr |
| Name |
9-Undecenoic acid, 2,6,10-trimethyl- |
| 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)7-5-8-12(3)9-6-10-13(4)14(15)16/h7,12-13H,5-6,8-10H2,1-4H3,(H,15,16) |
| InChIKey |
KZQOMAIPMSRFLW-UHFFFAOYSA-N |
| Molecular Weight |
226.360 g/mol |
| SMILES |
C(C(CCCC(CCC=C(C)C)C)C)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986247 |
