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2-Butyl-1-[(2E)-3,7-dimethyl-2,6-octadienyloxy]anthra-9,10-quinone
SpectraBase Compound ID 7KkgrGuTLCP
InChI InChI=1S/C28H32O3/c1-5-6-12-21-15-16-24-25(27(30)23-14-8-7-13-22(23)26(24)29)28(21)31-18-17-20(4)11-9-10-19(2)3/h7-8,10,13-17H,5-6,9,11-12,18H2,1-4H3/b20-17+
InChIKey NDWRBJKEOMAMKY-LVZFUZTISA-N
Mol Weight 416.6 g/mol
Molecular Formula C28H32O3
Exact Mass 416.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3v2vKi1h7q9
Name 2-Butyl-1-[(2E)-3,7-dimethyl-2,6-octadienyloxy]anthra-9,10-quinone
Alternate Name(s) (E)-2-butyl-1-((3,7-dimethylocta-2,6-dien-1-yl)oxy)anthracene-9,10-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32O3
InChI InChI=1S/C28H32O3/c1-5-6-12-21-15-16-24-25(27(30)23-14-8-7-13-22(23)26(24)29)28(21)31-18-17-20(4)11-9-10-19(2)3/h7-8,10,13-17H,5-6,9,11-12,18H2,1-4H3/b20-17+
InChIKey NDWRBJKEOMAMKY-LVZFUZTISA-N
Literature Reference DOI 10.1002/ffj.1728
Molecular Weight 416.561 g/mol
SMILES c1(c(ccc2C(c3ccccc3C(c12)=O)=O)CCCC)OC\C=C\(CCC=C(C)C)C
SPLASH splash10-001r-6390000000-a53059056ef7a2ec5040
Source of Spectrum FF-21-403-2
Wiley ID 1775456