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

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1,2-bis(10-Butyl-9-anthryl)ethane
SpectraBase Compound ID AyQo1j8ztET
InChI InChI=1S/C38H38/c1-3-5-15-27-29-17-7-11-21-33(29)37(34-22-12-8-18-30(27)34)25-26-38-35-23-13-9-19-31(35)28(16-6-4-2)32-20-10-14-24-36(32)38/h7-14,17-24H,3-6,15-16,25-26H2,1-2H3
InChIKey FNIFVSRPIKBDFC-UHFFFAOYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C38H38
Exact Mass 494.297351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 76zC8uABTGm
Name 1,2-bis(10-Butyl-9-anthryl)ethane
Comments Computed using HOSE algorithm
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Exact Mass 494.297351224 u
Formula C38H38
InChI InChI=1S/C38H38/c1-3-5-15-27-29-17-7-11-21-33(29)37(34-22-12-8-18-30(27)34)25-26-38-35-23-13-9-19-31(35)28(16-6-4-2)32-20-10-14-24-36(32)38/h7-14,17-24H,3-6,15-16,25-26H2,1-2H3
InChIKey FNIFVSRPIKBDFC-UHFFFAOYSA-N
Molecular Weight 494.722 g/mol
SMILES CCCCC=1C2=C(C=CC=C2)C(=C2C=CC=CC12)CCC=1C=2C=CC=CC2C(=C2C1C=CC=C2)CCCC