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Macluraxanthone

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

Macluraxanthone
SpectraBase Compound ID LDkomApXlub
InChI InChI=1S/C23H22O6/c1-6-22(2,3)16-14(25)10-13(24)15-17(26)12-9-11-7-8-23(4,5)29-19(11)18(27)20(12)28-21(15)16/h6-10,24-25,27H,1H2,2-5H3
InChIKey QFSGTBDQOWXCHS-UHFFFAOYSA-N
Mol Weight 394.42 g/mol
Molecular Formula C23H22O6
Exact Mass 394.141638 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C3D0ykbAeOG
Name Macluraxanthone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.141638422 u
Formula C23H22O6
InChI InChI=1S/C23H22O6/c1-6-22(2,3)16-14(25)10-13(24)15-17(26)12-9-11-7-8-23(4,5)29-19(11)18(27)20(12)28-21(15)16/h6-10,24-25,27H,1H2,2-5H3
InChIKey QFSGTBDQOWXCHS-UHFFFAOYSA-N
Molecular Weight 394.423 g/mol
SMILES C1(O)=CC(O)=C(C=2OC3=C(O)C4=C(C=C3C(=O)C12)C=CC(O4)(C)C)C(C=C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937804