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4-Cyclohexyl-2-iodo-6-methoxyisophthalonitrile
SpectraBase Compound ID AHca3NKyhIw
InChI InChI=1S/C15H15IN2O/c1-19-14-7-11(10-5-3-2-4-6-10)12(8-17)15(16)13(14)9-18/h7,10H,2-6H2,1H3
InChIKey PYJLZUKVWBOPTM-UHFFFAOYSA-N
Mol Weight 366.2 g/mol
Molecular Formula C15H15IN2O
Exact Mass 366.022908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G89eyTah4Sl
Name 4-Cyclohexyl-2-iodo-6-methoxyisophthalonitrile
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15IN2O
InChI InChI=1S/C15H15IN2O/c1-19-14-7-11(10-5-3-2-4-6-10)12(8-17)15(16)13(14)9-18/h7,10H,2-6H2,1H3
InChIKey PYJLZUKVWBOPTM-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q or HEWLETT-PACKARD HP 6890-MSD 5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103700
Molecular Weight 366.202 g/mol
Quality 116
Reported Formula C15H15IN2O
SMILES C=1(C(=C(C(=CC1C1CCCCC1)OC)C#N)I)C#N
SPLASH splash10-046r-0109000000-7e63305ec7d4ff85ff71
Source of Spectrum QE-28-SM93-14 (DOI: 10.1002/chem.202103700)
Wiley ID 1898201