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1,2-DI-N-HEXADECYLOXY-9,10-ANTHRAQUINONE
SpectraBase Compound ID 82dplTbx3L0
InChI InChI=1S/C46H72O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-37-49-42-36-35-41-43(45(48)40-34-30-29-33-39(40)44(41)47)46(42)50-38-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-36H,3-28,31-32,37-38H2,1-2H3
InChIKey GCIXLMFCEGUZRY-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 GbLIErQSKnc
Name 1,2-dicetyloxy-9,10-anthraquinone
Alternate Name(s) 1,2-dihexadecoxyanthracene-9,10-dione
Comments Less than 3 mono-isotopic peaks
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Formula C46H72O4
InChI InChI=1S/C46H72O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-37-49-42-36-35-41-43(45(48)40-34-30-29-33-39(40)44(41)47)46(42)50-38-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-36H,3-28,31-32,37-38H2,1-2H3
InChIKey GCIXLMFCEGUZRY-UHFFFAOYSA-N
Molecular Weight 689.078 g/mol
SMILES c12C(c3ccccc3C(c2ccc(c1OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)=O)=O
SPLASH splash10-0006-0090002000-efb31155faa1176a2ad1
Source of Spectrum KC-0-2532-3
Wiley ID 825237