| SpectraBase Spectrum ID |
GU5wGoaIWri |
| Name |
Propanoate |
| CAS Registry Number |
56922-76-0 |
| 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 |
156.115029753 u |
| Formula |
C9H16O2 |
| InChI |
InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3/b7-6- |
| InChIKey |
LPWKTEHEFDVAQS-SREVYHEPSA-N |
| Molecular Weight |
156.225 g/mol |
| Number of Peaks |
35 |
| RI1 |
1099 |
| SMILES |
CCC(OC\C=C/CCC)=O |
| SPLASH |
splash10-0a4i-9000000000-92124bc6751595babcae |
| 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, (2Z)-2-hexen-1-yl ester |
| Wiley ID |
LM_FFNSC3_2439 |
