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1-Hydroxy-5-methoxy-2,6-bis(prop-2'-enyl)anthraquinone

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

1-Hydroxy-5-methoxy-2,6-bis(prop-2'-enyl)anthraquinone
SpectraBase Compound ID 8fFSxNTsVUY
InChI InChI=1S/C21H18O4/c1-4-6-12-8-10-14-16(18(12)22)19(23)15-11-9-13(7-5-2)21(25-3)17(15)20(14)24/h4-5,8-11,22H,1-2,6-7H2,3H3
InChIKey NMWFRAHTMMCKFU-UHFFFAOYSA-N
Mol Weight 334.37 g/mol
Molecular Formula C21H18O4
Exact Mass 334.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LJRMEMJ9Nzm
Name 1-Hydroxy-5-methoxy-2,6-bis(prop-2'-enyl)anthraquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.120509056 u
Formula C21H18O4
InChI InChI=1S/C21H18O4/c1-4-6-12-8-10-14-16(18(12)22)19(23)15-11-9-13(7-5-2)21(25-3)17(15)20(14)24/h4-5,8-11,22H,1-2,6-7H2,3H3
InChIKey NMWFRAHTMMCKFU-UHFFFAOYSA-N
Molecular Weight 334.371 g/mol
SMILES C1=2C(C3=CC=C(C(=C3C(C2C=CC(=C1O)CC=C)=O)OC)CC=C)=O