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

View entire compound with spectra: 1 NMR

(2R,3R)-1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE-2,3-DICARBOXYLIC-ACID-BIS-(HYDROGENETOLUENESULFONATE)
SpectraBase Compound ID Cc8UiUmJEzG
InChI InChI=1S/C28H38N2O12S2/c1-21-3-7-23(8-4-21)43(35,36)29-11-15-39-19-20-40-16-12-30(44(37,38)24-9-5-22(2)6-10-24)14-18-42-26(28(33)34)25(27(31)32)41-17-13-29/h3-10,25-26H,11-20H2,1-2H3,(H,31,32)(H,33,34)/t25-,26-/m1/s1
InChIKey RCUHPGDZSZDFQJ-CLJLJLNGSA-N
Mol Weight 658.7 g/mol
Molecular Formula C28H38N2O12S2
Exact Mass 658.186617 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HX2H0cZGBAZ
Name (2R,3R)-1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE-2,3-DICARBOXYLIC-ACID-BIS-(HYDROGENETOLUENESULFONATE)
Compound Number 2.2A2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38N2O12S2
InChI InChI=1S/C28H38N2O12S2/c1-21-3-7-23(8-4-21)43(35,36)29-11-15-39-19-20-40-16-12-30(44(37,38)24-9-5-22(2)6-10-24)14-18-42-26(28(33)34)25(27(31)32)41-17-13-29/h3-10,25-26H,11-20H2,1-2H3,(H,31,32)(H,33,34)/t25-,26-/m1/s1
InChIKey RCUHPGDZSZDFQJ-CLJLJLNGSA-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 658.736 g/mol
Solvent Unknown
Source File Reference UWCS12335