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[OS(NH3)5(4,5-(2-ETA)-6,7-DIHYDRO-2-METHYL-6H-1,3-OXAZEPINE).(HOTF)](OTF)2

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[OS(NH3)5(4,5-(2-ETA)-6,7-DIHYDRO-2-METHYL-6H-1,3-OXAZEPINE).(HOTF)](OTF)2
SpectraBase Compound ID A4lJaWuG6pJ
InChI InChI=1S/C6H8NO.3CHF3O3S.5H3N.Os/c1-6-7-4-2-3-5-8-6;3*2-1(3,4)8(5,6)7;;;;;;/h7H,3,5H2,1H3;3*(H,5,6,7);5*1H3;/q+1;;;;;;;;;+7/p-3
InChIKey CTZXDQVXDCYCHV-UHFFFAOYSA-K
Mol Weight 832.71 g/mol
Molecular Formula C9H23F9N6O10OsS3
Exact Mass 834.010888 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7LZN0XYERyA
Name [OS(NH3)5(4,5-(2-ETA)-6,7-DIHYDRO-2-METHYL-6H-1,3-OXAZEPINE).(HOTF)](OTF)2
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H23F9N6O10OsS3
InChI InChI=1S/C6H8NO.3CHF3O3S.5H3N.Os/c1-6-7-4-2-3-5-8-6;3*2-1(3,4)8(5,6)7;;;;;;/h7H,3,5H2,1H3;3*(H,5,6,7);5*1H3;/q+1;;;;;;;;;+7/p-3
InChIKey CTZXDQVXDCYCHV-UHFFFAOYSA-K
Literature Reference Author H.CHEN,W.D.HARMAN
Literature Reference Citation J.AM.CHEM.SOC.,118,5672(1996)
Literature Reference DOI 10.1021/ja960389j
Molecular Weight 832.681 g/mol
Sample ID 55095
Solvent CD3CN