| SpectraBase Spectrum ID |
2ARkdfiYbo |
| Name |
Heptan-2-one<6-methyl-6-(3-methylphenyl)-> |
| CAS Registry Number |
72247-00-8 |
| 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 |
218.167065327 u |
| Formula |
C15H22O |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm 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 |
| Nominal Mass |
218 u |
| Number of Peaks |
137 |
| 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 |
| Wiley ID |
RA000646 |
