| SpectraBase Spectrum ID |
D8c3bJ2R9D2 |
| Name |
Octyl tiglate |
| CAS Registry Number |
29781-03-1 |
| 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 |
212.177630011 u |
| Formula |
C13H24O2 |
| InChI |
InChI=1S/C13H24O2/c1-4-6-7-8-9-10-11-15-13(14)12(3)5-2/h5H,4,6-11H2,1-3H3/b12-5+ |
| InChIKey |
JNHPLASQNDHBJH-LFYBBSHMSA-N |
| Molecular Weight |
212.333 g/mol |
| Number of Peaks |
50 |
| RI1 |
1527 |
| RI2 |
1202 |
| RI3 |
1228 |
| RI4 |
1187 |
| RI5 |
1515 |
| SMILES |
C(\C(C)=C\C)(=O)OCCCCCCCC |
| SPLASH |
splash10-0pc0-9300000000-7ee3492e3b62d75ffa05 |
| 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-, octyl ester, (2E)- |
| Wiley ID |
LM_FFNSC3_3398 |
