| SpectraBase Spectrum ID |
7LrKe0Agw0q |
| Name |
Hexadienyl tiglate, (2E,4E)- |
| CAS Registry Number |
1231959-42-4 |
| 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 |
180.115029753 u |
| Formula |
C11H16O2 |
| InChI |
InChI=1S/C11H16O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h4-8H,9H2,1-3H3/b6-4+,8-7+,10-5+ |
| InChIKey |
KXIOAGVWKLYECX-YNFRKHJASA-N |
| Molecular Weight |
180.247 g/mol |
| Number of Peaks |
39 |
| RI1 |
1403 |
| RI2 |
1082 |
| RI3 |
1077 |
| RI4 |
1033 |
| SMILES |
C\C=C\C=C\COC(=O)\C(C)=C\C |
| SPLASH |
splash10-053r-9000000000-1f37089960e1203d82c8 |
| 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-hexadien-1-yl ester, (2E)- |
| Wiley ID |
LM_FFNSC3_3411 |
