| SpectraBase Spectrum ID |
gqsi5wtMmC |
| Name |
Octadienyl tiglate, (2E,4E)- |
| CAS Registry Number |
1231959-77-5 |
| 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 |
208.146329882 u |
| Formula |
C13H20O2 |
| InChI |
InChI=1S/C13H20O2/c1-4-6-7-8-9-10-11-15-13(14)12(3)5-2/h5,7-10H,4,6,11H2,1-3H3/b8-7+,10-9+,12-5+ |
| InChIKey |
ARWGSQLYYIICKS-HTDIGEBFSA-N |
| Molecular Weight |
208.301 g/mol |
| Number of Peaks |
50 |
| RI1 |
1602 |
| RI2 |
1279 |
| RI3 |
1462 |
| RI4 |
1423 |
| RI5 |
1578 |
| SMILES |
C\C(C(=O)OC\C=C\C=C\CCC)=C/C |
| SPLASH |
splash10-053r-9000000000-fee91dc3bb54d9c1ef49 |
| 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 |
2-Butenoic acid, 2-methyl-, (2E,4E)-2,4-octadien-1-yl ester, (2E)- |
| Wiley ID |
LM_FFNSC3_3432 |
