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Ferruginol

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

Ferruginol<cis->
SpectraBase Compound ID A6Vx1t83uMS
InChI InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20-/m1/s1
InChIKey QXNWVJOHUAQHLM-UYAOXDASSA-N
Mol Weight 286.46 g/mol
Molecular Formula C20H30O
Exact Mass 286.229666 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LF3qzYyLnZk
Name Ferruginol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.229665585 u
Formula C20H30O
InChI InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20-/m1/s1
InChIKey QXNWVJOHUAQHLM-UYAOXDASSA-N
SMILES [C@]12(C3=C(C=C(C(=C3)O)C(C)C)CC[C@@]1(C(C)(C)CCC2)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.817759