| SpectraBase Spectrum ID |
3DUpSnaAAy |
| Name |
Ligustilide |
| CAS Registry Number |
81944-09-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14O2 |
| 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 |
| SMILES |
C1=2C(O\C(C2CCC=C1)=C\CCC)=O |
| SPLASH |
splash10-03dj-0900000000-b9468e32ac4bdacc2ca2 |
| Source of Spectrum |
D1-1995-872-1 |
| Synonyms |
Z-Ligustilide
(Z)-Ligustilide
(3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one
(3Z)-3-butylidene-4,5-dihydroisobenzofuran-1-one |
| Wiley ID |
834655 |
