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Naphthalene-2,6-dicarboxylic acid, methyl ester 4-pentyl-phenyl ester
SpectraBase Compound ID 9MV3c4ccgQU
InChI InChI=1S/C24H24O4/c1-3-4-5-6-17-7-13-22(14-8-17)28-24(26)21-12-10-18-15-20(23(25)27-2)11-9-19(18)16-21/h7-16H,3-6H2,1-2H3
InChIKey RLSLBTMZNDGCBZ-UHFFFAOYSA-N
Mol Weight 376.45 g/mol
Molecular Formula C24H24O4
Exact Mass 376.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1DWPYmR5blZ
Name Naphthalene-2,6-dicarboxylic acid, methyl ester 4-pentyl-phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.167459249 u
Formula C24H24O4
InChI InChI=1S/C24H24O4/c1-3-4-5-6-17-7-13-22(14-8-17)28-24(26)21-12-10-18-15-20(23(25)27-2)11-9-19(18)16-21/h7-16H,3-6H2,1-2H3
InChIKey RLSLBTMZNDGCBZ-UHFFFAOYSA-N
Molecular Weight 376.452 g/mol
SMILES C(CC1=CC=C(C=C1)OC(C1=CC2=CC=C(C(=O)OC)C=C2C=C1)=O)CCC