| SpectraBase Spectrum ID |
3EPEnSWEDwt |
| Name |
Catalponone |
| CAS Registry Number |
58190-97-9 |
| 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 |
228.115029753 u |
| Formula |
C15H16O2 |
| 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/C15H16O2/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15(11)17/h3-7,11H,8-9H2,1-2H3/t11-/m1/s1 |
| InChIKey |
CWIWSAPEOCRNMD-LLVKDONJSA-N |
| Molecular Weight |
228.291 g/mol |
| Nominal Mass |
228 u |
| Number of Peaks |
152 |
| SMILES |
c1ccc2c(c1)C([C@@](CC2=O)(CC=C(C)C)[H])=O |
| SPLASH |
splash10-03mi-5910000000-f1d71b32367ac693c76d |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000289 |
