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SSXGTWVFXRYCQJ-UHFFFAOYSA-M

View entire compound with spectra: 2 NMR

SSXGTWVFXRYCQJ-UHFFFAOYSA-M
SpectraBase Compound ID AX657x4ZiVm
InChI InChI=1S/C18H27FN2O3.ClHO4.Na/c19-18-16-2-1-3-17(18)15-21-5-9-22-8-4-20(14-16)6-10-23-12-13-24-11-7-21;2-1(3,4)5;/h1-3H,4-15H2;(H,2,3,4,5);/q;;+1/p-1
InChIKey SSXGTWVFXRYCQJ-UHFFFAOYSA-M
Mol Weight 460.86 g/mol
Molecular Formula C18H27ClFN2NaO7
Exact Mass 460.138851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3OMOupXlfqn
Name SSXGTWVFXRYCQJ-UHFFFAOYSA-M
Compound Number FN2O3.NACLO4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H27ClFN2NaO7
InChI InChI=1S/C18H27FN2O3.ClHO4.Na/c19-18-16-2-1-3-17(18)15-21-5-9-22-8-4-20(14-16)6-10-23-12-13-24-11-7-21;2-1(3,4)5;/h1-3H,4-15H2;(H,2,3,4,5);/q;;+1/p-1
InChIKey SSXGTWVFXRYCQJ-UHFFFAOYSA-M
Literature Reference Author H.PLENIO,R.DIODONE
Literature Reference Citation J.AM.CHEM.SOC.,118,356(1996)
Literature Reference DOI 10.1021/ja952928a
Molecular Weight 460.863 g/mol
Sample ID 57191
Solvent CD3CN