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CRNBDQSFKBOACI-UHFFFAOYSA-N
SpectraBase Compound ID 6EEMEDkhIZm
InChI InChI=1S/C14H12INO3S/c15-11-6-8-12(9-7-11)16-14(17)10-20(18,19)13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
InChIKey CRNBDQSFKBOACI-UHFFFAOYSA-N
Mol Weight 401.22 g/mol
Molecular Formula C14H12INO3S
Exact Mass 400.958259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AcT2jLB80XJ
Name CRNBDQSFKBOACI-UHFFFAOYSA-N
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12INO3S
InChI InChI=1S/C14H12INO3S/c15-11-6-8-12(9-7-11)16-14(17)10-20(18,19)13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
InChIKey CRNBDQSFKBOACI-UHFFFAOYSA-N
Literature Reference Author E.KOLEHMAINEN,H.JANOTA,R.GAWINECKI,K.LAIHIA,R.KAUPPINEN
Literature Reference Citation MAGN.RES.CHEM.,38,384(2000)
Literature Reference DOI 10.1002/1097-458x(200005)38:5<384::aid-mrc643>3.3.co;2-w
Molecular Weight 401.219 g/mol
Solvent CDCl3
Source File Reference UWBS1085