| SpectraBase Spectrum ID |
Bvcitb36wa5 |
| Name |
Ligustilide |
| CAS Registry Number |
4431-01-0 |
| 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-FLIBITNWSA-N |
| Molecular Weight |
190.242 g/mol |
| Nominal Mass |
190 u |
| Number of Peaks |
141 |
| SMILES |
C12=C(\C(OC2=O)=C\CCC)CCC=C1 |
| SPLASH |
splash10-0a6r-8900000000-6019c92464d7e2a915fa |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000843 |
