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Minidurel

View entire compound with spectra: 1 NMR, 1 FTIR, and 4 MS (GC)

Minidurel
SpectraBase Compound ID BtHljT1HRX
InChI InChI=1S/C29H24O4/c1-29(2,23-13-17-25(18-14-23)32-27(30)21-9-5-3-6-10-21)24-15-19-26(20-16-24)33-28(31)22-11-7-4-8-12-22/h3-20H,1-2H3
InChIKey XOWBJNIJFIUJJT-UHFFFAOYSA-N
Mol Weight 436.51 g/mol
Molecular Formula C29H24O4
Exact Mass 436.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5iQg7TtdCgu
Name Minidurel
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.167459249 u
Formula C29H24O4
InChI InChI=1S/C29H24O4/c1-29(2,23-13-17-25(18-14-23)32-27(30)21-9-5-3-6-10-21)24-15-19-26(20-16-24)33-28(31)22-11-7-4-8-12-22/h3-20H,1-2H3
InChIKey XOWBJNIJFIUJJT-UHFFFAOYSA-N
Molecular Weight 436.507 g/mol
SMILES C1(OC(=O)C2=CC=CC=C2)=CC=C(C(C)(C)C2=CC=C(C=C2)OC(=O)C2=CC=CC=C2)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.866829