| SpectraBase Spectrum ID |
663msrLIY4H |
| Name |
1-Phenyl-4-methyl-pentan-3-one |
| CAS Registry Number |
40463-09-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O |
| 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/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 |
| SMILES |
c1cccc(c1)CCC(C(C)C)=O |
| SPLASH |
splash10-052f-9600000000-a19e2348af5cf01ed2b8 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Synonyms |
Phenyl-4-methyl pentan-3-one<1-> |
| Wiley ID |
1886874 |
