| SpectraBase Spectrum ID |
8XDRj5p88PY |
| Name |
Isobutyrate <2,4-hexadienyl-> |
| CAS Registry Number |
16491-24-0 |
| 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 |
168.115029753 u |
| Formula |
C10H16O2 |
| InChI |
InChI=1S/C10H16O2/c1-4-5-6-7-8-12-10(11)9(2)3/h4-7,9H,8H2,1-3H3/b5-4+,7-6+ |
| InChIKey |
CVYBRMSQMLJGOI-YTXTXJHMSA-N |
| Molecular Weight |
168.236 g/mol |
| Number of Peaks |
50 |
| RI1 |
1205 |
| RI2 |
883 |
| RI5 |
1189 |
| SMILES |
C\C=C\C=C\COC(C(C)C)=O |
| SPLASH |
splash10-006x-9000000000-fb25345bc62bb3017840 |
| 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 |
Propanoic acid, 2-methyl-, 2,4-hexadienyl ester |
| Wiley ID |
LM_FFNSC3_1427 |
