| SpectraBase Spectrum ID |
JCcUtOg4NPi |
| Name |
Butanone |
| CAS Registry Number |
78-93-3 |
| 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 |
72.057514877 u |
| Formula |
C4H8O |
| InChI |
InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3 |
| InChIKey |
ZWEHNKRNPOVVGH-UHFFFAOYSA-N |
| Molecular Weight |
72.107 g/mol |
| Number of Peaks |
32 |
| RI1 |
602 |
| SMILES |
C(C)(CC)=O |
| SPLASH |
splash10-0006-9000000000-ffd30e84f77060ed935e |
| 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-Butanone |
| Wiley ID |
LM_FFNSC3_2075 |
