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DMDRXFSYXVTEPA-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR

DMDRXFSYXVTEPA-UHFFFAOYSA-N
SpectraBase Compound ID F8h7irbLtqN
InChI InChI=1S/C12H12N4.CHF3O3S/c1-8-7-9(2)16(15-8)12-13-10-5-3-4-6-11(10)14-12;2-1(3,4)8(5,6)7/h3-7H,1-2H3,(H,13,14);(H,5,6,7)
InChIKey DMDRXFSYXVTEPA-UHFFFAOYSA-N
Mol Weight 362.33 g/mol
Molecular Formula C13H13F3N4O3S
Exact Mass 362.066046 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8qytuCbxS5D
Name DMDRXFSYXVTEPA-UHFFFAOYSA-N
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13F3N4O3S
InChI InChI=1S/C12H12N4.CHF3O3S/c1-8-7-9(2)16(15-8)12-13-10-5-3-4-6-11(10)14-12;2-1(3,4)8(5,6)7/h3-7H,1-2H3,(H,13,14);(H,5,6,7)
InChIKey DMDRXFSYXVTEPA-UHFFFAOYSA-N
Literature Reference Author A.K.C.ECHTERHOFF,S.YOGENDRA,J.KOESTERS,R.FISCHER,J.J.WEIGAND
Literature Reference Citation EUR.J.ORG.CHEM.,2014,7631(2014)
Literature Reference DOI 10.1002/ejoc.201403057
Solvent CD3CN
Source File Reference UWIR20307