| SpectraBase Spectrum ID |
IBUTO5HNHPu |
| Name |
E-Ligustilide |
| CAS Registry Number |
81944-08-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14O2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness) |
| GC Oven Program |
60 ??C to 246 ??C at 3 ??C/min. |
| InChI |
InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8+ |
| InChIKey |
IQVQXVFMNOFTMU-DHZHZOJOSA-N |
| Molecular Weight |
190.242 g/mol |
| SMILES |
C1(O\C(=C\CCC)C2=C1C=CCC2)=O |
| SPLASH |
splash10-0a4i-8900000000-4e7feb0477ba6ee2add0 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Synonyms |
Ligustilide |
| Wiley ID |
1887581 |
