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IVNAGEICEPEAJP-UHFFFAOYSA-N

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IVNAGEICEPEAJP-UHFFFAOYSA-N
SpectraBase Compound ID CqI76pqjV7w
InChI InChI=1S/C13H11F6N3S/c1-6-4-7(2)9(8(3)5-6)22-21-20-11(23-22)10(12(14,15)16)13(17,18)19/h4-5H,1-3H3
InChIKey IVNAGEICEPEAJP-UHFFFAOYSA-N
Mol Weight 355.3 g/mol
Molecular Formula C13H11F6N3S
Exact Mass 355.057788 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xHAh4rCsbQ
Name IVNAGEICEPEAJP-UHFFFAOYSA-N
CAS Registry Number 66172-34-7
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11F6N3S
InChI InChI=1S/C13H11F6N3S/c1-6-4-7(2)9(8(3)5-6)22-21-20-11(23-22)10(12(14,15)16)13(17,18)19/h4-5H,1-3H3
InChIKey IVNAGEICEPEAJP-UHFFFAOYSA-N
Literature Reference Author M.S.RAASCH
Literature Reference Citation J.ORG.CHEM.,43,2500(1978)
Literature Reference DOI 10.1021/jo00406a047
Solvent Unknown
Source File Reference UWPS1852