| SpectraBase Spectrum ID |
IoT7BULx0ED |
| Name |
cis-5-Dodecenoic acid |
| Acquisition Mode |
SIMULTANEOUS |
| Comments |
Saturated cis-5-dodecenoic 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 |
C12 H22 O2 |
| IUPAC Name |
(Z)-dodec-5-enoic acid |
| InChI |
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7+ |
| InChIKey |
IJBFSOLHRKELLR-BQYQJAHWSA-N |
| PubChem Compound ID |
5312378 |
| SMILES |
CCCCCCC=CCCCC(=O)O; CCCCCC\C=C/CCCC(=O)O |
| Source File Reference |
bmse000565 |
