| SpectraBase Spectrum ID |
3Oo9BcOIWr6 |
| Name |
Heptadienyl tiglate, (2E,4E)- |
| CAS Registry Number |
1231959-25-3 |
| 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 |
194.130679818 u |
| Formula |
C12H18O2 |
| InChI |
InChI=1S/C12H18O2/c1-4-6-7-8-9-10-14-12(13)11(3)5-2/h5-9H,4,10H2,1-3H3/b7-6+,9-8+,11-5+ |
| InChIKey |
AIYDWCYFNRMOHE-MAWKFJPGSA-N |
| Molecular Weight |
194.274 g/mol |
| Number of Peaks |
49 |
| RI1 |
1501 |
| RI2 |
1179 |
| RI3 |
1367 |
| RI4 |
1328 |
| RI5 |
1502 |
| SMILES |
C\C(C(=O)OC\C=C\C=C\CC)=C/C |
| SPLASH |
splash10-0560-9000000000-2e897754eb9693ac0c0e |
| 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-heptadien-1-yl ester, (2E)- |
| Wiley ID |
LM_FFNSC3_3418 |
