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Naphthalene-2,6-dicarboxylic acid, bis-(4-octyl-phenyl ester
SpectraBase Compound ID 7G3WhYf2lzN
InChI InChI=1S/C40H48O4/c1-3-5-7-9-11-13-15-31-17-25-37(26-18-31)43-39(41)35-23-21-34-30-36(24-22-33(34)29-35)40(42)44-38-27-19-32(20-28-38)16-14-12-10-8-6-4-2/h17-30H,3-16H2,1-2H3
InChIKey KUOIUNUOUCYGTQ-UHFFFAOYSA-N
Mol Weight 592.8 g/mol
Molecular Formula C40H48O4
Exact Mass 592.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHSGF3CezMS
Name Naphthalene-2,6-dicarboxylic acid, bis-(4-octyl-phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 592.355260022 u
Formula C40H48O4
InChI InChI=1S/C40H48O4/c1-3-5-7-9-11-13-15-31-17-25-37(26-18-31)43-39(41)35-23-21-34-30-36(24-22-33(34)29-35)40(42)44-38-27-19-32(20-28-38)16-14-12-10-8-6-4-2/h17-30H,3-16H2,1-2H3
InChIKey KUOIUNUOUCYGTQ-UHFFFAOYSA-N
Molecular Weight 592.820 g/mol
SMILES C(CCCCCCC1=CC=C(C=C1)OC(C1=CC2=CC=C(C(=O)OC3=CC=C(C=C3)CCCCCCCC)C=C2C=C1)=O)C