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6,8-Diiodocoumarin-3-N,N-dimethylcarboxamide
SpectraBase Compound ID IgI87F47Kux
InChI InChI=1S/C12H9I2NO3/c1-15(2)11(16)8-4-6-3-7(13)5-9(14)10(6)18-12(8)17/h3-5H,1-2H3
InChIKey MTHGBRJMXGMGOP-UHFFFAOYSA-N
Mol Weight 469.02 g/mol
Molecular Formula C12H9I2NO3
Exact Mass 468.867183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPGsmw276z3
Name 6,8-Diiodocoumarin-3-N,N-dimethylcarboxamide
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9I2NO3
InChI InChI=1S/C12H9I2NO3/c1-15(2)11(16)8-4-6-3-7(13)5-9(14)10(6)18-12(8)17/h3-5H,1-2H3
InChIKey MTHGBRJMXGMGOP-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000 EX
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.7.199
Molecular Weight 469.017 g/mol
SMILES c1(cc2c(c(c1)I)OC(C(=C2)C(=O)N(C)C)=O)I
SPLASH splash10-00fr-8003900000-0bb7f1ebbc89d6fb5bf0
Source of Spectrum BJO-7-1694-7
Wiley ID 1870023