| SpectraBase Spectrum ID |
7udmd4ElHWq |
| Name |
Pentan-2-one <3-methyl-> |
| CAS Registry Number |
565-61-7 |
| 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/c1-4-5(2)6(3)7/h5H,4H2,1-3H3 |
| InChIKey |
UIHCLUNTQKBZGK-UHFFFAOYSA-N |
| Molecular Weight |
100.161 g/mol |
| Number of Peaks |
30 |
| RI1 |
745 |
| RI2 |
419 |
| RI3 |
424 |
| RI4 |
392 |
| SMILES |
CC(=O)C(C)CC |
| SPLASH |
splash10-0006-9000000000-1c1ec5a5ab3348fb3548 |
| 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, 3-methyl- |
| Wiley ID |
LM_FFNSC3_1861 |
