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Hexanoic acid, 6,6'-[2,3-naphthalenediylbis[oxy(1-oxo-2,1-ethanediyl)(methylimino)]]bis-, diethyl ester
SpectraBase Compound ID BCfgi9JIAEt
InChI InChI=1S/C32H46N2O8/c1-5-39-31(37)17-9-7-13-19-33(3)29(35)23-41-27-21-25-15-11-12-16-26(25)22-28(27)42-24-30(36)34(4)20-14-8-10-18-32(38)40-6-2/h11-12,15-16,21-22H,5-10,13-14,17-20,23-24H2,1-4H3
InChIKey HCAKKCHCFIJWKS-UHFFFAOYSA-N
Mol Weight 586.7 g/mol
Molecular Formula C32H46N2O8
Exact Mass 586.325416 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7SFYhCcdgyU
Name Hexanoic acid, 6,6'-[2,3-naphthalenediylbis[oxy(1-oxo-2,1-ethanediyl)(methylimino)]]bis-, diethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 586.325416441 u
Formula C32H46N2O8
InChI InChI=1S/C32H46N2O8/c1-5-39-31(37)17-9-7-13-19-33(3)29(35)23-41-27-21-25-15-11-12-16-26(25)22-28(27)42-24-30(36)34(4)20-14-8-10-18-32(38)40-6-2/h11-12,15-16,21-22H,5-10,13-14,17-20,23-24H2,1-4H3
InChIKey HCAKKCHCFIJWKS-UHFFFAOYSA-N
Molecular Weight 586.726 g/mol
SMILES C(N(CCCCCC(=O)OCC)C)(COC=1C(=CC=2C(C1)=CC=CC2)OCC(N(CCCCCC(=O)OCC)C)=O)=O