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(+)-bakuchiol, acetate

View entire compound with spectra: 1 NMR, and 1 FTIR

(+)-bakuchiol, acetate
SpectraBase Compound ID E8buftS1zGu
InChI InChI=1S/C20H26O2/c1-6-20(5,14-7-8-16(2)3)15-13-18-9-11-19(12-10-18)22-17(4)21/h6,8-13,15H,1,7,14H2,2-5H3/b15-13+
InChIKey KLWKVZWSRSGVHJ-FYWRMAATSA-N
Mol Weight 298.43 g/mol
Molecular Formula C20H26O2
Exact Mass 298.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EuWcJ2JqnTY
Name (+)-bakuchiol, acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.193280075 u
Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-6-20(5,14-7-8-16(2)3)15-13-18-9-11-19(12-10-18)22-17(4)21/h6,8-13,15H,1,7,14H2,2-5H3/b15-13+
InChIKey KLWKVZWSRSGVHJ-FYWRMAATSA-N
SMILES C(\C=C\C1=CC=C(C=C1)OC(C)=O)(CCC=C(C)C)(C=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946641