| SpectraBase Spectrum ID |
9vedy7s6SK4 |
| Name |
Isopropyl ketone |
| CAS Registry Number |
565-80-0 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
114.104465070 u |
| Formula |
C7H14O |
| InChI |
InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3 |
| InChIKey |
HXVNBWAKAOHACI-UHFFFAOYSA-N |
| Molecular Weight |
114.188 g/mol |
| Number of Peaks |
50 |
| RI1 |
791 |
| RI2 |
448 |
| SMILES |
CC(C(=O)C(C)C)C |
| SPLASH |
splash10-0006-9000000000-36ea07a6b123966efe37 |
| 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-Pentanone, 2,4-dimethyl- |
| Wiley ID |
LM_FFNSC3_1855 |
