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STYELSAMINE-D-DITRIFLUOROACETATE

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STYELSAMINE-D-DITRIFLUOROACETATE
SpectraBase Compound ID HioPuYENZzJ
InChI InChI=1S/C17H15N3O.2C2HF3O2/c18-7-5-10-9-14(21)17-15-12(6-8-19-17)11-3-1-2-4-13(11)20-16(10)15;2*3-2(4,5)1(6)7/h1-4,6,8-9,20-21H,5,7,18H2;2*(H,6,7)
InChIKey UJVOGAKRRGQHSV-UHFFFAOYSA-N
Mol Weight 505.373 g/mol
Molecular Formula C21H17F6N3O5
Exact Mass 505.10724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BSC1famEa60
Name STYELSAMINE_D_TFA_SALT
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17F6N3O5
InChI InChI=1S/C17H15N3O.2C2HF3O2/c18-7-5-10-9-14(21)17-15-12(6-8-19-17)11-3-1-2-4-13(11)20-16(10)15;2*3-2(4,5)1(6)7/h1-4,6,8-9,20-21H,5,7,18H2;2*(H,6,7)
InChIKey UJVOGAKRRGQHSV-UHFFFAOYSA-N
Literature Reference Author B.R.COPP,J.JOMPA,A.TAHIR,C.M.IRELAND
Literature Reference Citation J.ORG.CHEM.,63,8024(1998)
Literature Reference DOI 10.1021/jo980905j
Molecular Weight 505.373 g/mol
Sample ID 26807
Solvent DMSO-D6