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1-(1H-Benzotriazol-1-yl)-2-chloro-1-[(4-iodophenyl)imino]-2-nitroethane
SpectraBase Compound ID IItm27Sm06w
InChI InChI=1S/C14H9ClIN5O2/c15-13(21(22)23)14(17-10-7-5-9(16)6-8-10)20-12-4-2-1-3-11(12)18-19-20/h1-8,13H
InChIKey XPHUJSWVRFYBSM-UHFFFAOYSA-N
Mol Weight 441.62 g/mol
Molecular Formula C14H9ClIN5O2
Exact Mass 440.948947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HpKDQAujfE
Name 1-(1H-Benzotriazol-1-yl)-2-chloro-1-[(4-iodophenyl)imino]-2-nitroethane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9ClIN5O2
InChI InChI=1S/C14H9ClIN5O2/c15-13(21(22)23)14(17-10-7-5-9(16)6-8-10)20-12-4-2-1-3-11(12)18-19-20/h1-8,13H
InChIKey XPHUJSWVRFYBSM-UHFFFAOYSA-N
Molecular Weight 441.616 g/mol
SMILES C([n]1nnc2c1cccc2)(C(N(=O)=O)Cl)=Nc1ccc(cc1)I
SPLASH splash10-0a4i-0090100000-d293370a92c892bfa1fb
Source of Spectrum F4-44-890-7
Wiley ID 1706907