| SpectraBase Spectrum ID |
AAqPoUIrxCU |
| Name |
Acetate |
| Source of Sample |
SAFC Cat.no. W217409 |
| CAS Registry Number |
123-86-4 |
| 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/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 |
| InChIKey |
DKPFZGUDAPQIHT-UHFFFAOYSA-N |
| Molecular Weight |
116.160 g/mol |
| Number of Peaks |
48 |
| RI1 |
813 |
| RI2 |
469 |
| RI3 |
440 |
| RI4 |
405 |
| RI5 |
801 |
| SMILES |
CC(OCCCC)=O |
| SPLASH |
splash10-0006-9000000000-dfc92f0c3db5c190dd53 |
| 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, butyl ester |
| Wiley ID |
LM_FFNSC3_134 |
