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2,3-Di-n-heptyl-9,10-anthraquinone
SpectraBase Compound ID 7joxAgVCjS8
InChI InChI=1S/C28H36O2/c1-3-5-7-9-11-15-21-19-25-26(20-22(21)16-12-10-8-6-4-2)28(30)24-18-14-13-17-23(24)27(25)29/h13-14,17-20H,3-12,15-16H2,1-2H3
InChIKey VPCWTZMKPPPPSG-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C28H36O2
Exact Mass 404.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GO1tNRDfM6
Name 2,3-Di-n-heptyl-9,10-anthraquinone
Alternate Name(s) 2,3-Diheptylanthra-9,10-quinone
CAS Registry Number 113568-85-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36O2
InChI InChI=1S/C28H36O2/c1-3-5-7-9-11-15-21-19-25-26(20-22(21)16-12-10-8-6-4-2)28(30)24-18-14-13-17-23(24)27(25)29/h13-14,17-20H,3-12,15-16H2,1-2H3
InChIKey VPCWTZMKPPPPSG-UHFFFAOYSA-N
Molecular Weight 404.594 g/mol
SMILES c12c(C(=O)c3c(C2=O)cccc3)cc(c(c1)CCCCCCC)CCCCCCC
SPLASH splash10-0a4i-0039600000-a028bcea8cb721567858
Source of Spectrum K-121-1194-14
Wiley ID 1371607