| SpectraBase Spectrum ID |
6PfZeMHfG3A |
| Name |
Cyclohexanone <3-methyl-> |
| Source of Sample |
SAFC Cat.no. W394718 |
| CAS Registry Number |
591-24-2 |
| 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 |
112.088815005 u |
| Formula |
C7H12O |
| InChI |
InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3 |
| InChIKey |
UJBOOUHRTQVGRU-UHFFFAOYSA-N |
| Molecular Weight |
112.172 g/mol |
| Number of Peaks |
50 |
| RI1 |
951 |
| RI2 |
627 |
| RI3 |
732 |
| RI4 |
686 |
| SMILES |
C1(CC(CCC1)C)=O |
| SPLASH |
splash10-066u-9000000000-2119de7fab2f91319832 |
| 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 |
Cyclohexanone, 3-methyl- |
| Wiley ID |
LM_FFNSC3_602 |
