| SpectraBase Spectrum ID |
3q6ICcYwFc |
| Name |
Angustione |
| CAS Registry Number |
4717-67-3 |
| 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 |
194.094294308 u |
| Formula |
C11H14O3 |
| 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/C11H14O3/c1-6-5-11(3,4)10(14)8(7(2)12)9(6)13/h5,8H,1-4H3 |
| InChIKey |
JQUIHZWJQUUCHZ-UHFFFAOYSA-N |
| Molecular Weight |
194.230 g/mol |
| Nominal Mass |
194 u |
| Number of Peaks |
143 |
| SMILES |
CC(=O)C1C(C(C=C(C1=O)C)(C)C)=O |
| SPLASH |
splash10-0006-9600000000-3d2aa271c303f9b6ddad |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000076 |
