| SpectraBase Spectrum ID |
1ikh5eaofNZ |
| Name |
Pentanoic acid <3-methyl-> |
| Source of Sample |
SAFC Cat.no. W343706 |
| CAS Registry Number |
105-43-1 |
| 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 |
116.083729624 u |
| Formula |
C6H12O2 |
| InChI |
InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChIKey |
IGIDLTISMCAULB-UHFFFAOYSA-N |
| Molecular Weight |
116.160 g/mol |
| Number of Peaks |
47 |
| RI1 |
1002 |
| RI2 |
672 |
| RI5 |
959 |
| SMILES |
OC(CC(CC)C)=O |
| SPLASH |
splash10-03dl-9000000000-86a2c75a9c3ed4afe667 |
| 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- |
| Wiley ID |
LM_FFNSC3_520 |
