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JDMNSSBAUBJNJO-UHFFFAOYSA-L

View entire compound with spectra: 1 NMR

JDMNSSBAUBJNJO-UHFFFAOYSA-L
SpectraBase Compound ID EhvPOQRFMuT
InChI InChI=1S/C16H15IN2.2CHF3O3S/c1-4-10-16(11-5-1)17(18-12-6-2-7-13-18)19-14-8-3-9-15-19;2*2-1(3,4)8(5,6)7/h1-15H;2*(H,5,6,7)/q+2;;/p-2
InChIKey JDMNSSBAUBJNJO-UHFFFAOYSA-L
Mol Weight 660.34 g/mol
Molecular Formula C18H15F6IN2O6S2
Exact Mass 659.932043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DF46udXAq3d
Name JDMNSSBAUBJNJO-UHFFFAOYSA-L
Compound Number II_A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H15F6IN2O6S2
InChI InChI=1S/C16H15IN2.2CHF3O3S/c1-4-10-16(11-5-1)17(18-12-6-2-7-13-18)19-14-8-3-9-15-19;2*2-1(3,4)8(5,6)7/h1-15H;2*(H,5,6,7)/q+2;;/p-2
InChIKey JDMNSSBAUBJNJO-UHFFFAOYSA-L
Literature Reference Author N.S.PIRKULIYEV,V.K.BREL,V.V.ZHDANKIN,N.S.ZEFIROV
Literature Reference Citation RUSS.J.ORG.CHEM.,38,1224(2002)
Literature Reference DOI 10.1023/A:1020990618707
Molecular Weight 660.342 g/mol
Solvent CD3CN
Source File Reference UWMZ9626