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4-Iodophthalonitrile

View entire compound with spectra: 3 NMR, and 1 FTIR

4-Iodophthalonitrile
SpectraBase Compound ID 9D0P5litguK
InChI InChI=1S/C8H3IN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H
InChIKey OOHQHYJZUSXMFD-UHFFFAOYSA-N
Mol Weight 254.03 g/mol
Molecular Formula C8H3IN2
Exact Mass 253.934093 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1HEu50uCRYU
Name 4-Iodophthalonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 515426
CAS Registry Number 69518-17-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H3IN2
InChI InChI=1S/C8H3IN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H
InChIKey OOHQHYJZUSXMFD-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-iodobenzene-1,2-dicarbonitrile 4-iodo-1,2-dicyanobenzene
Wiley ID SIAL_13CNMR_010365