| SpectraBase Spectrum ID |
KOxmYGbCPSD |
| Name |
Pentan-2-one <4-methyl-> |
| Source of Sample |
SAFC Cat.no. W273104 |
| CAS Registry Number |
108-10-1 |
| 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 |
100.088815005 u |
| Formula |
C6H12O |
| InChI |
InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3 |
| InChIKey |
NTIZESTWPVYFNL-UHFFFAOYSA-N |
| Molecular Weight |
100.161 g/mol |
| Number of Peaks |
48 |
| RI1 |
732 |
| RI2 |
410 |
| SMILES |
CC(CC(C)=O)C |
| SPLASH |
splash10-052f-9000000000-bafbcc3985f1e79f3abe |
| 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-Pentanone, 4-methyl- |
| Wiley ID |
LM_FFNSC3_869 |
