| SpectraBase Spectrum ID |
6qGp1qsyRi0 |
| Name |
Angustione |
| CAS Registry Number |
641-11-2 |
| 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 |
196.109944372 u |
| Formula |
C11H16O3 |
| 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/C11H16O3/c1-6-5-11(3,4)10(14)8(7(2)12)9(6)13/h6,8H,5H2,1-4H3 |
| InChIKey |
NZMPUCGPIWVSMA-UHFFFAOYSA-N |
| Molecular Weight |
196.246 g/mol |
| Nominal Mass |
196 u |
| Number of Peaks |
121 |
| SMILES |
CC(=O)C1C(C(CC(C1=O)(C)C)C)=O |
| SPLASH |
splash10-0006-9700000000-40566cc22c1483ab59d2 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000075 |
