| SpectraBase Spectrum ID |
DxxD7LI3ck8 |
| Name |
6-Methyl-6-(3-methylphenyl)-heptan-2-one |
| CAS Registry Number |
72247-00-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H22O |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness) |
| GC Oven Program |
60 ??C to 246 ??C at 3 ??C/min. |
| 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 |
| SMILES |
c1c(cc(cc1)C(CCCC(C)=O)(C)C)C |
| SPLASH |
splash10-001l-6900000000-a987c83269c25dd05dae |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Synonyms |
Heptan-2-one<6-methyl-6-(3-methylphenyl)-> |
| Wiley ID |
1886407 |
