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Marchantin-H

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

Marchantin-H
SpectraBase Compound ID 7Dlg5KfeGsP
InChI InChI=1S/C28H24O5/c29-24-14-9-20-5-4-19-2-1-3-23(16-19)33-28-21(11-15-25(30)27(28)31)10-6-18-7-12-22(13-8-18)32-26(24)17-20/h1-3,7-9,11-17,29-31H,4-6,10H2
InChIKey BVVNNKLMNVFVGS-UHFFFAOYSA-N
Mol Weight 440.5 g/mol
Molecular Formula C28H24O5
Exact Mass 440.162374 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Idxx09JCaWV
Name Marchantin-H
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.162373868 u
Formula C28H24O5
InChI InChI=1S/C28H24O5/c29-24-14-9-20-5-4-19-2-1-3-23(16-19)33-28-21(11-15-25(30)27(28)31)10-6-18-7-12-22(13-8-18)32-26(24)17-20/h1-3,7-9,11-17,29-31H,4-6,10H2
InChIKey BVVNNKLMNVFVGS-UHFFFAOYSA-N
Molecular Weight 440.495 g/mol
SMILES C1(O)=CC=C2CCC3=CC=C(OC=4C(=CC=C(CCC=5C=CC=C(OC2=C1O)C5)C4)O)C=C3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930268