| SpectraBase Spectrum ID |
391Funvmubz |
| Name |
Heptan-2-one <6-methyl-6-m-tolyl-> |
| CAS Registry Number |
72247-00-8 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
218.167065327 u |
| Formula |
C15H22O |
| InChI |
InChI=1S/C15H22O/c1-12-7-5-9-14(11-12)15(3,4)10-6-8-13(2)16/h5,7,9,11H,6,8,10H2,1-4H3 |
| InChIKey |
AUFVFYVDFCCOQQ-UHFFFAOYSA-N |
| Molecular Weight |
218.340 g/mol |
| Number of Peaks |
50 |
| RI1 |
1642 |
| SMILES |
CC(CCCC(c1cccc(c1)C)(C)C)=O |
| SPLASH |
splash10-001l-6900000000-f076320ebc519d3dfe48 |
| 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-Heptanone, 6-methyl-6-(3-methylphenyl)- |
| Wiley ID |
LM_FFNSC3_2503 |
