| SpectraBase Spectrum ID |
IDDtanV9ZsQ |
| Name |
Pentanoate |
| CAS Registry Number |
39255-32-8 |
| 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 |
144.115029753 u |
| Formula |
C8H16O2 |
| InChI |
InChI=1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3 |
| InChIKey |
HZPKNSYIDSNZKW-UHFFFAOYSA-N |
| Molecular Weight |
144.214 g/mol |
| Number of Peaks |
50 |
| RI1 |
937 |
| RI2 |
614 |
| RI3 |
494 |
| RI4 |
449 |
| RI5 |
926 |
| SMILES |
C(C(CCC)C)(=O)OCC |
| SPLASH |
splash10-0fkc-9300000000-34a996212aff24f6e378 |
| 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, 2-methyl-, ethyl ester |
| Wiley ID |
LM_FFNSC3_168 |
