| SpectraBase Spectrum ID |
3OKSccukkoc |
| Name |
Lilial |
| CAS Registry Number |
80-54-6 |
| 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 |
204.151415263 u |
| Formula |
C14H20O |
| 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/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3 |
| InChIKey |
SDQFDHOLCGWZPU-UHFFFAOYSA-N |
| Molecular Weight |
204.313 g/mol |
| Nominal Mass |
204 u |
| Number of Peaks |
110 |
| SMILES |
c1c(ccc(c1)C(C)(C)C)CC(C=O)C |
| SPLASH |
splash10-00ll-4900000000-9b518f304bb1105608fc |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000844 |
