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(2R,3R,11R,12R)-1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE-2,3,11,12-TETRACARBOXYLIC-ACID-BIS-(HYDROGENETOLUENESULFONATE)

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(2R,3R,11R,12R)-1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE-2,3,11,12-TETRACARBOXYLIC-ACID-BIS-(HYDROGENETOLUENESULFONATE)
SpectraBase Compound ID Iw4ac9BtJMd
InChI InChI=1S/C30H38N2O16S2/c1-19-3-7-21(8-4-19)49(41,42)31-11-15-45-23(27(33)34)25(29(37)38)47-17-13-32(50(43,44)22-9-5-20(2)6-10-22)14-18-48-26(30(39)40)24(28(35)36)46-16-12-31/h3-10,23-26H,11-18H2,1-2H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)/t23-,24-,25-,26-/m1/s1
InChIKey WSVOWNGTFAHDTH-VEYUFSJPSA-N
Mol Weight 746.8 g/mol
Molecular Formula C30H38N2O16S2
Exact Mass 746.166275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lfp0Wfy6bP6
Name (2R,3R,11R,12R)-1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE-2,3,11,12-TETRACARBOXYLIC-ACID-BIS-(HYDROGENETOLUENESULFONATE)
Compound Number 2.2A4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H38N2O16S2
InChI InChI=1S/C30H38N2O16S2/c1-19-3-7-21(8-4-19)49(41,42)31-11-15-45-23(27(33)34)25(29(37)38)47-17-13-32(50(43,44)22-9-5-20(2)6-10-22)14-18-48-26(30(39)40)24(28(35)36)46-16-12-31/h3-10,23-26H,11-18H2,1-2H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)/t23-,24-,25-,26-/m1/s1
InChIKey WSVOWNGTFAHDTH-VEYUFSJPSA-N
Literature Reference Author A.ANANTANARZAN,T.M.FZLES
Literature Reference Citation CAN.J.CHEM.,68,1338(1990)
Literature Reference DOI 10.1139/v90-206
Molecular Weight 746.756 g/mol
Solvent Unknown
Source File Reference UWCS12336