| SpectraBase Spectrum ID |
8TfKP3YPXMf |
| Name |
Angustifolenone |
| CAS Registry Number |
122221-94-7 |
| 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 |
166.135765199 u |
| Formula |
C11H18O |
| 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/C11H18O/c1-5-9-6-8(2)7-11(3,4)10(9)12/h6,8H,5,7H2,1-4H3 |
| InChIKey |
CEPKOCWFQKOARE-UHFFFAOYSA-N |
| Molecular Weight |
166.264 g/mol |
| Nominal Mass |
166 u |
| Number of Peaks |
109 |
| SMILES |
C1C(C=C(C(C1(C)C)=O)CC)C |
| SPLASH |
splash10-03xr-9600000000-0e91060926e8dcb6f26a |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000074 |
