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Curcumin - (4-benzyl) derivative

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

Curcumin - (4-benzyl) derivative
SpectraBase Compound ID EW3OC0M1KE7
InChI InChI=1S/C28H26O6/c1-32-27-16-20(10-14-25(27)31)8-12-23(29)18-24(30)13-9-21-11-15-26(28(17-21)33-2)34-19-22-6-4-3-5-7-22/h3-17,31H,18-19H2,1-2H3/b12-8+,13-9+
InChIKey DFVXCCQCNHHTCG-QHKWOANTSA-N
Mol Weight 458.51 g/mol
Molecular Formula C28H26O6
Exact Mass 458.172939 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CclRSGg9auI
Name Curcumin - (4-benzyl) derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.172938551 u
Formula C28H26O6
InChI InChI=1S/C28H26O6/c1-32-27-16-20(10-14-25(27)31)8-12-23(29)18-24(30)13-9-21-11-15-26(28(17-21)33-2)34-19-22-6-4-3-5-7-22/h3-17,31H,18-19H2,1-2H3/b12-8+,13-9+
InChIKey DFVXCCQCNHHTCG-QHKWOANTSA-N
Molecular Weight 458.510 g/mol
SMILES C=1(C(OCC=2C=CC=CC2)=CC=C(\C=C\C(CC(\C=C\C=2C=C(OC)C(=CC2)O)=O)=O)C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876467