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2,8-dibenzofurandicarboxylic acid, bis[3-(dibutylamino)propyl]ester, dihydrochloride, hemihydrate

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2,8-dibenzofurandicarboxylic acid, bis[3-(dibutylamino)propyl]ester, dihydrochloride, hemihydrate
SpectraBase Compound ID 5hHRCUut8yh
InChI InChI=1S/2C36H54N2O5.4ClH.H2O/c2*1-5-9-19-37(20-10-6-2)23-13-25-41-35(39)29-15-17-33-31(27-29)32-28-30(16-18-34(32)43-33)36(40)42-26-14-24-38(21-11-7-3)22-12-8-4;;;;;/h2*15-18,27-28H,5-14,19-26H2,1-4H3;4*1H;1H2
InChIKey JSYSUSPATQTDGB-UHFFFAOYSA-N
Mol Weight 676.767 g/mol
Molecular Formula C36H56Cl2N2O5·½H2O
Exact Mass 675.361911 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6LCvogfMc1V
Name 2,8-dibenzofurandicarboxylic acid, bis[3-(dibutylamino)propyl]ester, dihydrochloride, hemihydrate
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H60Cl2N2O7
InChI InChI=1S/2C36H54N2O5.4ClH.H2O/c2*1-5-9-19-37(20-10-6-2)23-13-25-41-35(39)29-15-17-33-31(27-29)32-28-30(16-18-34(32)43-33)36(40)42-26-14-24-38(21-11-7-3)22-12-8-4;;;;;/h2*15-18,27-28H,5-14,19-26H2,1-4H3;4*1H;1H2
InChIKey JSYSUSPATQTDGB-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 28798M
Solvent CDCl3