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Ferruginol acetate <trans->
SpectraBase Compound ID ImkShKj6V9q
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
Mol Weight 328.5 g/mol
Molecular Formula C22H32O2
Exact Mass 328.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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