| SpectraBase Spectrum ID |
CAa5hYwKszB |
| Name |
Ligustilide <(E)-> |
| Source of Sample |
SAFC Cat.no. W265101 |
| 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 |
| 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 |
| Number of Peaks |
50 |
| RI1 |
1795 |
| RI2 |
1472 |
| SMILES |
C=1CCC2=C(C1)C(O\C2=C/CCC)=O |
| SPLASH |
splash10-0a4i-4900000000-19f57c364e1012f48efc |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (3E)- |
| Wiley ID |
LM_FFNSC3_1680 |
