| SpectraBase Spectrum ID |
7u1PKwk3iFM |
| Name |
But-(2E)-enoic acid <2-methyl-, 1-ethylhexyl-> ester |
| Source of Sample |
SAFC Cat.no. W367605 |
| CAS Registry Number |
94133-92-3 |
| 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 |
212.177630011 u |
| Formula |
C13H24O2 |
| InChI |
InChI=1S/C13H24O2/c1-5-8-9-10-12(7-3)15-13(14)11(4)6-2/h6,12H,5,7-10H2,1-4H3/b11-6+ |
| InChIKey |
LMBAQNNBRWRROG-IZZDOVSWSA-N |
| Molecular Weight |
212.333 g/mol |
| Number of Peaks |
50 |
| RI1 |
1414 |
| RI2 |
1093 |
| RI3 |
1057 |
| RI4 |
1011 |
| RI5 |
1404 |
| SMILES |
CCCCCC(OC(\C(=C\C)C)=O)CC |
| SPLASH |
splash10-053r-9200000000-764419fb0bc217b12a84 |
| 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-, 1-ethylhexyl ester, (2E)- |
| Wiley ID |
LM_FFNSC3_156 |
