| SpectraBase Spectrum ID |
KAibI8HPDYI |
| Name |
Perilla ketone |
| CAS Registry Number |
553-84-4 |
| 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 |
166.099379689 u |
| Formula |
C10H14O2 |
| 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/C10H14O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h5-8H,3-4H2,1-2H3 |
| InChIKey |
LVHLZMUFIYAEQB-UHFFFAOYSA-N |
| Molecular Weight |
166.220 g/mol |
| Nominal Mass |
166 u |
| Number of Peaks |
104 |
| SMILES |
C(=O)(CCC(C)C)c1ccoc1 |
| SPLASH |
splash10-01ot-9400000000-8048c08b9881a59577c2 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA002020 |
