| SpectraBase Spectrum ID |
3XaU61PB1Ex |
| Name |
Hexanoate |
| Source of Sample |
SAFC Cat.no. W350818 |
| CAS Registry Number |
21188-58-9 |
| 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 |
146.094294308 u |
| Formula |
C7H14O3 |
| InChI |
InChI=1S/C7H14O3/c1-3-4-6(8)5-7(9)10-2/h6,8H,3-5H2,1-2H3 |
| InChIKey |
ACCRBMDJCPPJDX-UHFFFAOYSA-N |
| Molecular Weight |
146.186 g/mol |
| Number of Peaks |
50 |
| RI1 |
1053 |
| RI2 |
726 |
| RI3 |
1049 |
| RI4 |
1006 |
| RI5 |
1033 |
| SMILES |
OC(CC(=O)OC)CCC |
| SPLASH |
splash10-0fdo-9100000000-ef423f70269931418062 |
| 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-hydroxy-, methyl ester |
| Wiley ID |
LM_FFNSC3_396 |
