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5-o-Methylxanthone V1

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

5-o-Methylxanthone V1
SpectraBase Compound ID 2r2TaudQsjj
InChI InChI=1S/C24H24O6/c1-12(2)6-7-15-20-14(10-11-24(3,4)30-20)19(27)17-18(26)13-8-9-16(25)23(28-5)22(13)29-21(15)17/h6,8-11,25,27H,7H2,1-5H3
InChIKey PZHQEWQFKUTZTQ-UHFFFAOYSA-N
Mol Weight 408.45 g/mol
Molecular Formula C24H24O6
Exact Mass 408.157288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ATk8WF87qwq
Name 5-o-Methylxanthone V1
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.157288487 u
Formula C24H24O6
InChI InChI=1S/C24H24O6/c1-12(2)6-7-15-20-14(10-11-24(3,4)30-20)19(27)17-18(26)13-8-9-16(25)23(28-5)22(13)29-21(15)17/h6,8-11,25,27H,7H2,1-5H3
InChIKey PZHQEWQFKUTZTQ-UHFFFAOYSA-N
Molecular Weight 408.450 g/mol
SMILES C12=C(C(CC=C(C)C)=C3C(=C2O)C=CC(O3)(C)C)OC2=C(C1=O)C=CC(=C2OC)O