| SpectraBase Spectrum ID |
DomYCFp0mWm |
| Name |
(Z)-Ligustilide |
| CAS Registry Number |
81944-08-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
190.099379689 u |
| 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
190.242 g/mol |
| Nominal Mass |
190 u |
| Quality |
926 |
| Retention Index |
1405 |
| SMILES |
C12=C(C(O\C2=C\CCC)=O)C=CCC1 |
| SPLASH |
splash10-0a4i-4900000000-eaf25a1868f018741b48 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(E)-3-Butylidene-4,5-dihydroisobenzofura-1(3H)-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030545 |
