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1,5-BIS-(4-IODO-3,5-DIMETHYLPYRAZOL-1-YL)-3-THIAPENTANE
SpectraBase Compound ID KD5jOxEdwhC
InChI InChI=1S/C14H20I2N4S/c1-9-13(15)11(3)19(17-9)5-7-21-8-6-20-12(4)14(16)10(2)18-20/h5-8H2,1-4H3
InChIKey ZJSWNGKVHBUSBT-UHFFFAOYSA-N
Mol Weight 530.21 g/mol
Molecular Formula C14H20I2N4S
Exact Mass 529.949808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7vfm01s7mu
Name 1,5-BIS-(4-IODO-3,5-DIMETHYLPYRAZOL-1-YL)-3-THIAPENTANE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H20I2N4S
InChI InChI=1S/C14H20I2N4S/c1-9-13(15)11(3)19(17-9)5-7-21-8-6-20-12(4)14(16)10(2)18-20/h5-8H2,1-4H3
InChIKey ZJSWNGKVHBUSBT-UHFFFAOYSA-N
Literature Reference Author A.S.POOTAPV,N.P.CHERNOVA,V.D.OGORODNIKOV,T.V.PETRENKO,A.I.KH LEBNIKOV
Literature Reference Citation BEIL.J.ORG.CHEM.,7,1526(2011)
Literature Reference DOI 10.3762/bjoc.7.179
Molecular Weight 530.209 g/mol
Solvent CDCl3
Source File Reference UWBT9711