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5-o-Methylhoslundin
SpectraBase Compound ID LAuaqdRaoIj
InChI InChI=1S/C24H20O7/c1-13-23(28-3)22(26)15(12-30-13)20-18(27-2)11-19-21(24(20)29-4)16(25)10-17(31-19)14-8-6-5-7-9-14/h5-12H,1-4H3
InChIKey YZMKUGIAIUCXMP-UHFFFAOYSA-N
Mol Weight 420.42 g/mol
Molecular Formula C24H20O7
Exact Mass 420.120903 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 23WseajAkgr
Name 5-o-Methylhoslundin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.120902977 u
Formula C24H20O7
InChI InChI=1S/C24H20O7/c1-13-23(28-3)22(26)15(12-30-13)20-18(27-2)11-19-21(24(20)29-4)16(25)10-17(31-19)14-8-6-5-7-9-14/h5-12H,1-4H3
InChIKey YZMKUGIAIUCXMP-UHFFFAOYSA-N
Molecular Weight 420.417 g/mol
SMILES C=12OC(=CC(C2=C(C(C=2C(C(OC)=C(OC2)C)=O)=C(C1)OC)OC)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905632