| SpectraBase Spectrum ID |
DMRoNr1sgAl |
| Name |
Elsholtzia ketone |
| CAS Registry Number |
488-05-1 |
| 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 |
166.099379689 u |
| Formula |
C10H14O2 |
| InChI |
InChI=1S/C10H14O2/c1-7(2)6-9(11)10-8(3)4-5-12-10/h4-5,7H,6H2,1-3H3 |
| InChIKey |
MYPGRLGQLDFZMK-UHFFFAOYSA-N |
| Molecular Weight |
166.220 g/mol |
| Number of Peaks |
43 |
| RI1 |
1206 |
| SMILES |
Cc1ccoc1C(CC(C)C)=O |
| SPLASH |
splash10-0ab9-2900000000-5a4b0c992f52412be81f |
| 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 |
1-Butanone, 3-methyl-1-(3-methyl-2-furanyl)- |
| Wiley ID |
LM_FFNSC3_2936 |
