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2,3,6,7-tetra-n-heptyl-9,10-anthraquinone
SpectraBase Compound ID JB1h2lg2txN
InChI InChI=1S/C42H64O2/c1-5-9-13-17-21-25-33-29-37-38(30-34(33)26-22-18-14-10-6-2)42(44)40-32-36(28-24-20-16-12-8-4)35(31-39(40)41(37)43)27-23-19-15-11-7-3/h29-32H,5-28H2,1-4H3
InChIKey CGPWGBYJLKJFQH-UHFFFAOYSA-N
Mol Weight 601.0 g/mol
Molecular Formula C42H64O2
Exact Mass 600.490631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22V5hkDJdcn
Name 2,3,6,7-tetra-n-heptyl-9,10-anthraquinone
Alternate Name(s) 2,3,6,7-tetraheptylanthra-9,10-quinone
CAS Registry Number 113568-82-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H64O2
InChI InChI=1S/C42H64O2/c1-5-9-13-17-21-25-33-29-37-38(30-34(33)26-22-18-14-10-6-2)42(44)40-32-36(28-24-20-16-12-8-4)35(31-39(40)41(37)43)27-23-19-15-11-7-3/h29-32H,5-28H2,1-4H3
InChIKey CGPWGBYJLKJFQH-UHFFFAOYSA-N
Molecular Weight 600.972 g/mol
SMILES c12c(C(=O)c3c(C2=O)cc(c(CCCCCCC)c3)CCCCCCC)cc(c(c1)CCCCCCC)CCCCCCC
SPLASH splash10-0pb9-9000035000-9adfd1ad203d667f46c5
Source of Spectrum K-121-1194-13
Wiley ID 1410212