| SpectraBase Spectrum ID |
2KXoYH6JFj |
| Name |
Neocnidilide (=Sedanolide) |
| CAS Registry Number |
4567-33-3 |
| 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 |
194.130679818 u |
| Formula |
C12H18O2 |
| 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/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11+/m1/s1 |
| InChIKey |
UPJFTVFLSIQQAV-KOLCDFICSA-N |
| Molecular Weight |
194.274 g/mol |
| Nominal Mass |
194 u |
| Number of Peaks |
52 |
| SMILES |
C1(O[C@@](CCCC)([C@]2(C1=CCCC2)[H])[H])=O |
| SPLASH |
splash10-0a6r-9400000000-f7fdccb4ca17dd19d28f |
| Source |
ex LOMATIUM DISECTIUM and CELERY SEED OIL |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001004 |
