| SpectraBase Spectrum ID |
HqRRp6SzREI |
| Name |
2-Hexenal |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
505-57-7; 6728-26-3 |
| Comments |
Saturated 2-hexenal - 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 |
C6 H10 O |
| IUPAC Name |
(E)-hex-2-enal |
| InChI |
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3 |
| InChIKey |
MBDOYVRWFFCFHM-UHFFFAOYSA-N |
| KEGG Compound ID |
C08497 |
| PubChem Compound ID |
5281168 |
| SMILES |
CCCC=CC=O; CCC\C=C\C=O |
| Source File Reference |
bmse000536 |
