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2,6-Naphthalenedicarboxylic acid, bis(4-butylphenyl) ester
SpectraBase Compound ID 91Bk6tVfhbO
InChI InChI=1S/C32H32O4/c1-3-5-7-23-9-17-29(18-10-23)35-31(33)27-15-13-26-22-28(16-14-25(26)21-27)32(34)36-30-19-11-24(12-20-30)8-6-4-2/h9-22H,3-8H2,1-2H3
InChIKey NAQLIDDBYMPRCS-UHFFFAOYSA-N
Mol Weight 480.6 g/mol
Molecular Formula C32H32O4
Exact Mass 480.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1maZxVPLc9Q
Name 2,6-Naphthalenedicarboxylic acid, bis(4-butylphenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 480.230059506 u
Formula C32H32O4
InChI InChI=1S/C32H32O4/c1-3-5-7-23-9-17-29(18-10-23)35-31(33)27-15-13-26-22-28(16-14-25(26)21-27)32(34)36-30-19-11-24(12-20-30)8-6-4-2/h9-22H,3-8H2,1-2H3
InChIKey NAQLIDDBYMPRCS-UHFFFAOYSA-N
Molecular Weight 480.604 g/mol
SMILES C(CC1=CC=C(C=C1)OC(C1=CC2=CC=C(C(=O)OC3=CC=C(C=C3)CCCC)C=C2C=C1)=O)CC