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2,2'-Ethylenebis(4-amyloxyphenylpyrimidine)

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2,2'-Ethylenebis(4-amyloxyphenylpyrimidine)
SpectraBase Compound ID E2vGz96GsFz
InChI InChI=1S/C32H38N4O2/c1-3-5-7-19-37-29-13-9-25(10-14-29)27-21-33-31(34-22-27)17-18-32-35-23-28(24-36-32)26-11-15-30(16-12-26)38-20-8-6-4-2/h9-16,21-24H,3-8,17-20H2,1-2H3
InChIKey MRWNWUITPAESFZ-UHFFFAOYSA-N
Mol Weight 510.7 g/mol
Molecular Formula C32H38N4O2
Exact Mass 510.299476 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5mn56IvLlVI
Name 2,2'-Ethylenebis(4-amyloxyphenylpyrimidine)
Comments Computed using HOSE algorithm
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Exact Mass 510.299476478 u
Formula C32H38N4O2
InChI InChI=1S/C32H38N4O2/c1-3-5-7-19-37-29-13-9-25(10-14-29)27-21-33-31(34-22-27)17-18-32-35-23-28(24-36-32)26-11-15-30(16-12-26)38-20-8-6-4-2/h9-16,21-24H,3-8,17-20H2,1-2H3
InChIKey MRWNWUITPAESFZ-UHFFFAOYSA-N
Molecular Weight 510.682 g/mol
SMILES C1(=NC=C(C=N1)C1=CC=C(C=C1)OCCCCC)CCC1=NC=C(C=N1)C1=CC=C(C=C1)OCCCCC