| SpectraBase Spectrum ID |
99LlDPely9R |
| Name |
Phenyl-4-methyl pentan-3-one<1-> |
| CAS Registry Number |
40463-09-0 |
| 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 |
176.120115134 u |
| Formula |
C12H16O |
| 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/C12H16O/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| InChIKey |
QATHVLKLWVUSRC-UHFFFAOYSA-N |
| Molecular Weight |
176.259 g/mol |
| Nominal Mass |
176 u |
| Number of Peaks |
74 |
| SMILES |
c1cccc(c1)CCC(C(C)C)=O |
| SPLASH |
splash10-052f-9600000000-a19e2348af5cf01ed2b8 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001113 |
