| SpectraBase Spectrum ID |
JjyLUkUhE15 |
| Name |
Propanoic acid <2-oxo-, (3Z)-hexenyl-> ester |
| CAS Registry Number |
68133-76-6 |
| 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 |
170.094294308 u |
| Formula |
C9H14O3 |
| InChI |
InChI=1S/C9H14O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5H,3,6-7H2,1-2H3/b5-4- |
| InChIKey |
LKNXTZXOBHAYSR-PLNGDYQASA-N |
| Molecular Weight |
170.208 g/mol |
| Number of Peaks |
50 |
| RI1 |
1182 |
| RI2 |
860 |
| SMILES |
CC(C(OCC\C=C/CC)=O)=O |
| SPLASH |
splash10-052f-9000000000-ecbacf6196de0b0ada97 |
| 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-oxo-, (3Z)-3-hexenyl ester |
| Wiley ID |
LM_FFNSC3_1374 |
