| SpectraBase Spectrum ID |
LIhoggFel3K |
| Name |
Acetate |
| Source of Sample |
SAFC Cat.no. W217506 |
| CAS Registry Number |
110-19-0 |
| 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 |
116.083729624 u |
| Formula |
C6H12O2 |
| InChI |
InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3 |
| InChIKey |
GJRQTCIYDGXPES-UHFFFAOYSA-N |
| Molecular Weight |
116.160 g/mol |
| Number of Peaks |
41 |
| RI1 |
768 |
| RI2 |
433 |
| RI3 |
419 |
| RI4 |
386 |
| RI5 |
754 |
| SMILES |
C(C)(=O)OCC(C)C |
| SPLASH |
splash10-0006-9000000000-bdc1412fbdc2cc0dba75 |
| 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 |
Acetic acid, 2-methylpropyl ester |
| Wiley ID |
LM_FFNSC3_635 |
