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3,6-Diiodo-2-(3-(trifluoromethyl)benzyl)benzonitrile
SpectraBase Compound ID 823ZScr84A9
InChI InChI=1S/C15H8F3I2N/c16-15(17,18)10-3-1-2-9(6-10)7-11-12(8-21)14(20)5-4-13(11)19/h1-6H,7H2
InChIKey KSINKPZZTHSPCA-UHFFFAOYSA-N
Mol Weight 513.04 g/mol
Molecular Formula C15H8F3I2N
Exact Mass 512.869824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4O8uZTXZIMv
Name 3,6-Diiodo-2-(3-(trifluoromethyl)benzyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H8F3I2N
InChI InChI=1S/C15H8F3I2N/c16-15(17,18)10-3-1-2-9(6-10)7-11-12(8-21)14(20)5-4-13(11)19/h1-6H,7H2
InChIKey KSINKPZZTHSPCA-UHFFFAOYSA-N
Molecular Weight 513.040 g/mol
SMILES C(c1c(c(ccc1I)I)Cc1cc(ccc1)C(F)(F)F)#N
SPLASH splash10-03di-0233090000-1bd7a0c3f8c3ed8e0bb9
Source of Spectrum A1-17-4396/SM35-8
Wiley ID 1802343