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Propanamide, N-(2-iodo-4-methylphenyl)-3-chloro-

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Propanamide, N-(2-iodo-4-methylphenyl)-3-chloro-
SpectraBase Compound ID AR0R3LHX1pK
InChI InChI=1S/C10H11ClINO/c1-7-2-3-9(8(12)6-7)13-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKey CRLIKQMWVMLNQX-UHFFFAOYSA-N
Mol Weight 323.56 g/mol
Molecular Formula C10H11ClINO
Exact Mass 322.957387 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1vzzsrrcJPO
Name Propanamide, N-(2-iodo-4-methylphenyl)-3-chloro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.957386677 u
Formula C10H11ClINO
InChI InChI=1S/C10H11ClINO/c1-7-2-3-9(8(12)6-7)13-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKey CRLIKQMWVMLNQX-UHFFFAOYSA-N
Molecular Weight 323.561 g/mol
SMILES CC1=CC(=C(NC(CCCl)=O)C=C1)I
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939027