| SpectraBase Spectrum ID |
HlOEP40qtH9 |
| Name |
Phenyl heptan-3-one<1-> |
| CAS Registry Number |
19969-04-1 |
| 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 |
190.135765199 u |
| Formula |
C13H18O |
| 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/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 |
| Nominal Mass |
190 u |
| Number of Peaks |
65 |
| SMILES |
c1ccccc1CCC(CCCC)=O |
| SPLASH |
splash10-052f-9500000000-590da88073747f2c4018 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001107 |
