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1,2-bis(10-Dodecyl-9-anthryl)ethane

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1,2-bis(10-Dodecyl-9-anthryl)ethane
SpectraBase Compound ID EPT3AVOqtJi
InChI InChI=1S/C54H70/c1-3-5-7-9-11-13-15-17-19-21-31-43-45-33-23-27-37-49(45)53(50-38-28-24-34-46(43)50)41-42-54-51-39-29-25-35-47(51)44(48-36-26-30-40-52(48)54)32-22-20-18-16-14-12-10-8-6-4-2/h23-30,33-40H,3-22,31-32,41-42H2,1-2H3
InChIKey NKSZJBOVUMFQJB-UHFFFAOYSA-N
Mol Weight 719.2 g/mol
Molecular Formula C54H70
Exact Mass 718.547752 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DiMphHTtU8V
Name 1,2-bis(10-Dodecyl-9-anthryl)ethane
Comments Computed using HOSE algorithm
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Exact Mass 718.547752254 u
Formula C54H70
InChI InChI=1S/C54H70/c1-3-5-7-9-11-13-15-17-19-21-31-43-45-33-23-27-37-49(45)53(50-38-28-24-34-46(43)50)41-42-54-51-39-29-25-35-47(51)44(48-36-26-30-40-52(48)54)32-22-20-18-16-14-12-10-8-6-4-2/h23-30,33-40H,3-22,31-32,41-42H2,1-2H3
InChIKey NKSZJBOVUMFQJB-UHFFFAOYSA-N
Molecular Weight 719.154 g/mol
SMILES C(CC)CCCCCCCCCC=1C2=C(C=CC=C2)C(=C2C1C=CC=C2)CCC=1C=2C=CC=CC2C(=C2C1C=CC=C2)CCCCCCCCCCCC