| SpectraBase Spectrum ID |
5EjqxGvWZni |
| Name |
Hexan-3-one |
| Source of Sample |
SAFC Cat.no. W329002 |
| CAS Registry Number |
589-38-8 |
| 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 |
100.088815005 u |
| Formula |
C6H12O |
| InChI |
InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3 |
| InChIKey |
PFCHFHIRKBAQGU-UHFFFAOYSA-N |
| Molecular Weight |
100.161 g/mol |
| Number of Peaks |
47 |
| RI1 |
782 |
| RI2 |
442 |
| SMILES |
CCC(CCC)=O |
| SPLASH |
splash10-052f-9100000000-b806104a54deae9e20eb |
| 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 |
3-Hexanone |
| Wiley ID |
LM_FFNSC3_806 |
