| SpectraBase Spectrum ID |
IEPKACLG5Dk |
| Name |
Ligustilide |
| CAS Registry Number |
81944-08-3 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
190.099379689 u |
| Formula |
C12H14O2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm 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 |
| Nominal Mass |
190 u |
| Number of Peaks |
123 |
| 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 |
| Wiley ID |
RA001820 |
