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4-Amino-2-chloro-5-iodobenzonitrile, N,N-diacetyl-

View entire compound with spectra: 1 FTIR

4-Amino-2-chloro-5-iodobenzonitrile, N,N-diacetyl-
SpectraBase Compound ID DIYwLfhEVz8
InChI InChI=1S/C11H8ClIN2O2/c1-6(16)15(7(2)17)11-4-9(12)8(5-14)3-10(11)13/h3-4H,1-2H3
InChIKey HHCATMCFVYZLCG-UHFFFAOYSA-N
Mol Weight 362.55 g/mol
Molecular Formula C11H8ClIN2O2
Exact Mass 361.9319 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2M5JeedGEBr
Name 4-Amino-2-chloro-5-iodobenzonitrile, N,N-diacetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.931900204 u
Formula C11H8ClIN2O2
InChI InChI=1S/C11H8ClIN2O2/c1-6(16)15(7(2)17)11-4-9(12)8(5-14)3-10(11)13/h3-4H,1-2H3
InChIKey HHCATMCFVYZLCG-UHFFFAOYSA-N
Molecular Weight 362.554 g/mol
SMILES C1(I)=C(C=C(C(=C1)C#N)Cl)N(C(=O)C)C(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934273