| SpectraBase Spectrum ID |
HauZ4f7bK7i |
| Name |
Propanoate |
| Source of Sample |
SAFC Cat.no. W202606 |
| CAS Registry Number |
2705-87-5 |
| 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 |
196.146329882 u |
| Formula |
C12H20O2 |
| InChI |
InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2 |
| InChIKey |
TWXUTZNBHUWMKJ-UHFFFAOYSA-N |
| Molecular Weight |
196.290 g/mol |
| Number of Peaks |
50 |
| RI1 |
1428 |
| RI2 |
1107 |
| RI3 |
1187 |
| RI4 |
1146 |
| SMILES |
C=CCOC(CCC1CCCCC1)=O |
| SPLASH |
splash10-052g-9300000000-1785659156a84699cdc1 |
| 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 |
Cyclohexanepropanoic acid, 2-propenyl ester |
| Wiley ID |
LM_FFNSC3_188 |
