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3-(p-carboxybenzenesulfonamido)-4-(hexadecyloxy)benzoic acid, 1-methyl ester
SpectraBase Compound ID Cc9gP81ArKy
InChI InChI=1S/C31H45NO7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-39-29-22-19-26(31(35)38-2)24-28(29)32-40(36,37)27-20-17-25(18-21-27)30(33)34/h17-22,24,32H,3-16,23H2,1-2H3,(H,33,34)
InChIKey UXOBFJWGSOPIAM-UHFFFAOYSA-N
Mol Weight 575.8 g/mol
Molecular Formula C31H45NO7S
Exact Mass 575.291674 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 74QgCz26lVT
Name 3-(p-carboxybenzenesulfonamido)-4-(hexadecyloxy)benzoic acid, 1-methyl ester
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Formula C31H45NO7S
InChI InChI=1S/C31H45NO7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-39-29-22-19-26(31(35)38-2)24-28(29)32-40(36,37)27-20-17-25(18-21-27)30(33)34/h17-22,24,32H,3-16,23H2,1-2H3,(H,33,34)
InChIKey UXOBFJWGSOPIAM-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 52099M
Solvent CDCl3