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1,8-Bis(hexadecyloxy)anthraquinone

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

1,8-Bis(hexadecyloxy)anthraquinone
SpectraBase Compound ID 9okHLPVhtPJ
InChI InChI=1S/C46H72O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37-49-41-35-31-33-39-43(41)46(48)44-40(45(39)47)34-32-36-42(44)50-38-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-36H,3-30,37-38H2,1-2H3
InChIKey VPTSANRLCBGGSJ-UHFFFAOYSA-N
Mol Weight 689.1 g/mol
Molecular Formula C46H72O4
Exact Mass 688.543061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5OkIz0Cb2Ai
Name 1,8-Bis(hexadecyloxy)anthraquinone
Comments Less than 3 mono-isotopic peaks
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Formula C46H72O4
InChI InChI=1S/C46H72O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37-49-41-35-31-33-39-43(41)46(48)44-40(45(39)47)34-32-36-42(44)50-38-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-36H,3-30,37-38H2,1-2H3
InChIKey VPTSANRLCBGGSJ-UHFFFAOYSA-N
Molecular Weight 689.078 g/mol
SMILES C1(c2c(cccc2OCCCCCCCCCCCCCCCC)C(c2c1c(OCCCCCCCCCCCCCCCC)ccc2)=O)=O
SPLASH splash10-03di-0000900000-15a121338800f42e4a7c
Source of Spectrum J-58-2012-7
Wiley ID 1414634