| SpectraBase Spectrum ID |
CIJ0gbObG5y |
| Name |
Hexa-2,4-dienyl butyrate |
| CAS Registry Number |
16930-93-1 |
| 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 |
168.115029753 u |
| Formula |
C10H16O2 |
| InChI |
InChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3,5-7H,4,8-9H2,1-2H3/b5-3+,7-6+ |
| InChIKey |
PTJGYWXDEDRLPB-TWTPFVCWSA-N |
| Molecular Weight |
168.236 g/mol |
| Number of Peaks |
50 |
| RI1 |
1252 |
| RI2 |
930 |
| SMILES |
C\C=C\C=C\COC(CCC)=O |
| SPLASH |
splash10-006x-9000000000-79e5764ddff16b07a3cb |
| 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 |
Butanoic acid, 2,4-hexadienyl ester |
| Wiley ID |
LM_FFNSC3_1539 |
