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IWBVTUNPMXYULM-KQICGTEKSA-N

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IWBVTUNPMXYULM-KQICGTEKSA-N
SpectraBase Compound ID 365bfSyTfxO
InChI InChI=1S/C18H31ClN2O5S/c1-4-5-10-6-11-17(25)21(8-20(11)7-10)12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-3/h9-16,18,22-24H,4-8H2,1-3H3/t9?,10?,11-,12?,13+,14-,15-,16-,18-/m1/s1
InChIKey IWBVTUNPMXYULM-KQICGTEKSA-N
Mol Weight 422.97 g/mol
Molecular Formula C18H31ClN2O5S
Exact Mass 422.164221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AaURmVmCP1s
Name IWBVTUNPMXYULM-KQICGTEKSA-N
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H31ClN2O5S
InChI InChI=1S/C18H31ClN2O5S/c1-4-5-10-6-11-17(25)21(8-20(11)7-10)12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-3/h9-16,18,22-24H,4-8H2,1-3H3/t9?,10?,11-,12?,13+,14-,15-,16-,18-/m1/s1
InChIKey IWBVTUNPMXYULM-KQICGTEKSA-N
Literature Reference Author G.P.MOLONEY,D.J.CRAIK,M.N.ISKANDER
Literature Reference Citation MAGN.RES.CHEM.,31,1077(1993)
Literature Reference DOI 10.1002/mrc.1260311209
Molecular Weight 422.968 g/mol
Solvent D2O
Source File Reference UWPR35