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CYCLOHEXYL-(S,S)-4-[2-(METHOXYMETHYL)-PYRROLIDIN-1-YLAMINO]-(PHENYL)-BUTANE-1-SULFONATE

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CYCLOHEXYL-(S,S)-4-[2-(METHOXYMETHYL)-PYRROLIDIN-1-YLAMINO]-(PHENYL)-BUTANE-1-SULFONATE
SpectraBase Compound ID KDcxZXAsOlX
InChI InChI=1S/C22H36N2O4S/c1-27-18-20-12-8-16-24(20)23-22(19-10-4-2-5-11-19)15-9-17-29(25,26)28-21-13-6-3-7-14-21/h2,4-5,10-11,20-23H,3,6-9,12-18H2,1H3/t20-,22+/m0/s1
InChIKey UHKIZHNAHKWRMV-RBBKRZOGSA-N
Mol Weight 424.6 g/mol
Molecular Formula C22H36N2O4S
Exact Mass 424.239579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A1hTjp0WNhd
Name CYCLOHEXYL-(S,S)-4-[2-(METHOXYMETHYL)-PYRROLIDIN-1-YLAMINO]-(PHENYL)-BUTANE-1-SULFONATE
Compound Number 4I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H36N2O4S
InChI InChI=1S/C22H36N2O4S/c1-27-18-20-12-8-16-24(20)23-22(19-10-4-2-5-11-19)15-9-17-29(25,26)28-21-13-6-3-7-14-21/h2,4-5,10-11,20-23H,3,6-9,12-18H2,1H3/t20-,22+/m0/s1
InChIKey UHKIZHNAHKWRMV-RBBKRZOGSA-N
Literature Reference Author D.ENDERS,A.MOLL,J.W.BATS
Literature Reference Citation EUR.J.ORG.CHEM.,1271(2006)
Molecular Weight 424.599 g/mol
Sample ID 43363
Solvent CDCl3