| SpectraBase Spectrum ID |
DTANeZKpF8v |
| Name |
1-Phenyl-heptan-3-one |
| Alternate Name(s) |
Phenyl heptan-3-one<1-> |
| CAS Registry Number |
19969-04-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O |
| 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/C13H18O/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3 |
| InChIKey |
ZGTHHNNORWULAE-UHFFFAOYSA-N |
| Molecular Weight |
190.286 g/mol |
| SMILES |
c1ccccc1CCC(CCCC)=O |
| SPLASH |
splash10-052f-9500000000-590da88073747f2c4018 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
1886868 |
