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Edunone

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

Edunone
SpectraBase Compound ID Jly3QR3SZzM
InChI InChI=1S/C20H32O/c1-14(2)17-11-12-20(5)18(17)10-9-15(3)7-6-8-16(4)13-19(20)21/h7,16,18H,6,8-13H2,1-5H3/b15-7+/t16-,18-,20-/m1/s1
InChIKey AMAPASJFIMKPND-ILUKQUFFSA-N
Mol Weight 288.5 g/mol
Molecular Formula C20H32O
Exact Mass 288.245316 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID aDc3lL7Yph
Name Edunone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.245315649 u
Formula C20H32O
InChI InChI=1S/C20H32O/c1-14(2)17-11-12-20(5)18(17)10-9-15(3)7-6-8-16(4)13-19(20)21/h7,16,18H,6,8-13H2,1-5H3/b15-7+/t16-,18-,20-/m1/s1
InChIKey AMAPASJFIMKPND-ILUKQUFFSA-N
Molecular Weight 288.475 g/mol
SMILES [C@]12([C@@](C(=C(C)C)CC2)(CC\C(=C\CC[C@](CC1=O)(C)[H])C)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946092