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Benzyl ether of dehydromarchantin

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

Benzyl ether of dehydromarchantin
SpectraBase Compound ID 83PIwuGhh2W
InChI InChI=1S/C36H30O4/c1-37-32-19-21-34-30(24-32)16-12-26-13-17-31(18-14-26)39-36-23-28(11-10-27-8-5-9-33(22-27)40-34)15-20-35(36)38-25-29-6-3-2-4-7-29/h2-9,12-24H,10-11,25H2,1H3/b16-12+
InChIKey KFHHOVWOFWIADJ-FOWTUZBSSA-N
Mol Weight 526.6 g/mol
Molecular Formula C36H30O4
Exact Mass 526.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 92I0jvubYvY
Name Benzyl ether of dehydromarchantin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 526.214409442 u
Formula C36H30O4
InChI InChI=1S/C36H30O4/c1-37-32-19-21-34-30(24-32)16-12-26-13-17-31(18-14-26)39-36-23-28(11-10-27-8-5-9-33(22-27)40-34)15-20-35(36)38-25-29-6-3-2-4-7-29/h2-9,12-24H,10-11,25H2,1H3/b16-12+
InChIKey KFHHOVWOFWIADJ-FOWTUZBSSA-N
Molecular Weight 526.632 g/mol
SMILES C1=2OC=3C=CC(\C=C\C4=CC(OC)=CC=C4OC=4C=C(CCC(C2)=CC=C1OCC=1C=CC=CC1)C=CC4)=CC3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.860216