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2-Methylthio-4,6-pyrimidinyl ditriflate
SpectraBase Compound ID 7fF4nc5bsDX
InChI InChI=1S/C7H4F6N2O6S3/c1-22-5-14-3(20-23(16,17)6(8,9)10)2-4(15-5)21-24(18,19)7(11,12)13/h2H,1H3
InChIKey PWXNMHVKFHQQDG-UHFFFAOYSA-N
Mol Weight 422.29 g/mol
Molecular Formula C7H4F6N2O6S3
Exact Mass 421.913568 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FAEUcaNnzJU
Name 2-METHYLTHIO-4,6-PYRIMIDINYL-DITRIFLATE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H4F6N2O6S3
InChI InChI=1S/C7H4F6N2O6S3/c1-22-5-14-3(20-23(16,17)6(8,9)10)2-4(15-5)21-24(18,19)7(11,12)13/h2H,1H3
InChIKey PWXNMHVKFHQQDG-UHFFFAOYSA-N
Literature Reference Author J.SANDOSHAM,K.UNDHEIM
Literature Reference Citation HETEROCYCLES,37,501(1994)
Literature Reference DOI 10.3987/COM-93-S39
Molecular Weight 422.289 g/mol
Solvent CDCl3
Source File Reference UWCP5991