| SpectraBase Spectrum ID |
GYqckuMmdin |
| Name |
Hexanoate |
| CAS Registry Number |
67707-75-9 |
| 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/c1-6-13-10(12)7-9(2)8-11(3,4)5/h9H,6-8H2,1-5H3 |
| InChIKey |
NMZMQQBBZRGLPJ-UHFFFAOYSA-N |
| Molecular Weight |
186.295 g/mol |
| Number of Peaks |
50 |
| RI1 |
1147 |
| RI2 |
824 |
| SMILES |
C(OCC)(CC(CC(C)(C)C)C)=O |
| SPLASH |
splash10-053l-9100000000-a819ec69bc36ddaaa75c |
| 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, 3,5,5-trimethyl-, ethyl ester |
| Wiley ID |
LM_FFNSC3_1808 |
