| SpectraBase Spectrum ID |
I5Cb4MofrqK |
| Name |
Pimelic ketone |
| Source of Sample |
SAFC Cat.no. W390909 |
| CAS Registry Number |
108-94-1 |
| 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 |
98.073164941 u |
| Formula |
C6H10O |
| InChI |
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2 |
| InChIKey |
JHIVVAPYMSGYDF-UHFFFAOYSA-N |
| Molecular Weight |
98.145 g/mol |
| Number of Peaks |
47 |
| RI1 |
901 |
| RI2 |
568 |
| RI3 |
640 |
| RI4 |
599 |
| RI5 |
862 |
| SMILES |
C1C(CCCC1)=O |
| SPLASH |
splash10-052f-9000000000-7e36bf3a2f8de2a2ca6e |
| 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 |
| Wiley ID |
LM_FFNSC3_45 |
