| SpectraBase Spectrum ID |
48zu2KujmoT |
| Name |
Undecanoic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
112-37-8 |
| ChEBI ID |
32368 |
| Comments |
Saturated undecanoic acid - Sigma-Aldrich
Solvent CDCl3, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C11 H22 O2 |
| IUPAC Name |
undecanoic acid |
| InChI |
InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13) |
| InChIKey |
ZDPHROOEEOARMN-UHFFFAOYSA-N |
| PubChem Compound ID |
8180 |
| SMILES |
CCCCCCCCCCC(=O)O |
| Source File Reference |
bmse000563 |
