| SpectraBase Spectrum ID |
46RTkIX2WxV |
| Name |
Hexanoate |
| Source of Sample |
SAFC Cat.no. W207519 |
| CAS Registry Number |
2198-61-0 |
| 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 |
186.161979946 u |
| Formula |
C11H22O2 |
| InChI |
InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3 |
| InChIKey |
XVSZRAWFCDHCBP-UHFFFAOYSA-N |
| Molecular Weight |
186.295 g/mol |
| Number of Peaks |
50 |
| RI1 |
1252 |
| RI2 |
930 |
| RI3 |
872 |
| RI4 |
826 |
| SMILES |
C(CCCCC)(=O)OCCC(C)C |
| SPLASH |
splash10-00dl-9000000000-d2fe3c98c39b8e6c57d7 |
| 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 |
Hexanoic acid, 3-methylbutyl ester |
| Wiley ID |
LM_FFNSC3_508 |
