| SpectraBase Spectrum ID |
CGrYsiWXY4U |
| Name |
Butyl methyl ketone |
| CAS Registry Number |
591-78-6 |
| 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/c1-3-4-5-6(2)7/h3-5H2,1-2H3 |
| InChIKey |
QQZOPKMRPOGIEB-UHFFFAOYSA-N |
| Molecular Weight |
100.161 g/mol |
| Number of Peaks |
41 |
| RI1 |
786 |
| RI2 |
445 |
| SMILES |
CC(CCCC)=O |
| SPLASH |
splash10-052f-9000000000-4c7537f28b19c884e062 |
| 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 |
2-Hexanone |
| Wiley ID |
LM_FFNSC3_1856 |
