SpectraBase Spectrum ID |
2fGDIR8BE0 |
Name |
Ferruginol acetate |
CAS Registry Number |
15340-79-1 |
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 |
328.240230268 u |
Formula |
C22H32O2 |
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/C22H32O2/c1-14(2)17-12-16-8-9-20-21(4,5)10-7-11-22(20,6)18(16)13-19(17)24-15(3)23/h12-14,20H,7-11H2,1-6H3 |
InChIKey |
AZEPENWNEVUZPW-UHFFFAOYSA-N |
Molecular Weight |
328.496 g/mol |
Nominal Mass |
328 u |
Number of Peaks |
195 |
SMILES |
CC12c3c(cc(c(c3)OC(C)=O)C(C)C)CCC1C(C)(C)CCC2 |
SPLASH |
splash10-000l-5960000000-be3e3850e40ba9cf7c0a |
Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
Wiley ID |
RA000590 |