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2,2',3,3'-Tetrahexyl-9,9'-bianthronyl

View entire compound with spectra: 1 MS (GC)

2,2',3,3'-Tetrahexyl-9,9'-bianthronyl
SpectraBase Compound ID 3dCIs0V2Hl7
InChI InChI=1S/C52H66O2/c1-5-9-13-17-25-37-33-45-47(35-39(37)27-19-15-11-7-3)51(53)43-31-23-21-29-41(43)49(45)50-42-30-22-24-32-44(42)52(54)48-36-40(28-20-16-12-8-4)38(34-46(48)50)26-18-14-10-6-2/h21-24,29-36,49-50H,5-20,25-28H2,1-4H3
InChIKey PPUNVOUHPFVSNW-UHFFFAOYSA-N
Mol Weight 723.1 g/mol
Molecular Formula C52H66O2
Exact Mass 722.506281 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7Qqpyk5OAV
Name 2,2',3,3'-Tetrahexyl-9,9'-bianthronyl
Alternate Name(s) 10-(2,3-dihexyl-10-oxo-9,10-dihydroanthracen-9-yl)-2,3-dihexyl-9,10-dihydroanthracen-9-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H66O2
InChI InChI=1S/C52H66O2/c1-5-9-13-17-25-37-33-45-47(35-39(37)27-19-15-11-7-3)51(53)43-31-23-21-29-41(43)49(45)50-42-30-22-24-32-44(42)52(54)48-36-40(28-20-16-12-8-4)38(34-46(48)50)26-18-14-10-6-2/h21-24,29-36,49-50H,5-20,25-28H2,1-4H3
InChIKey PPUNVOUHPFVSNW-UHFFFAOYSA-N
Molecular Weight 723.098 g/mol
SMILES C1(C2c3c(cc(c(c3)CCCCCC)CCCCCC)C(c3c2cccc3)=O)c2c(cc(c(c2)CCCCCC)CCCCCC)C(c2c1cccc2)=O
SPLASH splash10-03di-0009000100-49d8f990b0e39c50893f
Source of Spectrum K-126-1223-6
Wiley ID 1415712