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3,3-Diiodo-2,2,4,4-tetramethyl-pentane
SpectraBase Compound ID 5crWpfphLbi
InChI InChI=1S/C9H18I2/c1-7(2,3)9(10,11)8(4,5)6/h1-6H3
InChIKey QMBORAGLOWORRQ-UHFFFAOYSA-N
Mol Weight 380.05 g/mol
Molecular Formula C9H18I2
Exact Mass 379.949791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5E12G92xJ2O
Name 3,3-Diiodo-2,2,4,4-tetramethyl-pentane
CAS Registry Number 84679-80-1
Comments SOLVENT CDCL3/CCL4 1/1. C1,C5 GAUCHE TO 2 HALOGENS SHIFT OF 79.8 PPM REPORTED FOR C3 MUST BE IN ERROR (CHCL3 ?)
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Formula C9H18I2
InChI InChI=1S/C9H18I2/c1-7(2,3)9(10,11)8(4,5)6/h1-6H3
InChIKey QMBORAGLOWORRQ-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference H.O. Kalinowski, E. Roecker, G. Maier, Org. Magn. Resonance 21, 64 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany