| SpectraBase Spectrum ID |
o7yF6rToHi |
| Name |
Pentanoic acid <3-methyl-, ethyl-> ester |
| CAS Registry Number |
5870-68-8 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
144.115029753 u |
| Formula |
C8H16O2 |
| InChI |
InChI=1S/C8H16O2/c1-4-7(3)6-8(9)10-5-2/h7H,4-6H2,1-3H3 |
| InChIKey |
TXAWGHYFBQBVNK-UHFFFAOYSA-N |
| Molecular Weight |
144.214 g/mol |
| Number of Peaks |
50 |
| RI1 |
953 |
| RI2 |
628 |
| SMILES |
CCC(CC(OCC)=O)C |
| SPLASH |
splash10-01w4-9000000000-5520a8972503baf675d0 |
| 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 |
Pentanoic acid, 3-methyl-, ethyl ester |
| Wiley ID |
LM_FFNSC3_1384 |
