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3',4'-Dichloro-3-(nicotinoylhydrazono)butyranilide

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

3',4'-Dichloro-3-(nicotinoylhydrazono)butyranilide
SpectraBase Compound ID 725LvmGorhE
InChI InChI=1S/C16H14Cl2N4O2/c1-10(21-22-16(24)11-3-2-6-19-9-11)7-15(23)20-12-4-5-13(17)14(18)8-12/h2-6,8-9H,7H2,1H3,(H,20,23)(H,22,24)/b21-10+
InChIKey MSKHTEOICNEEDP-UFFVCSGVSA-N
Mol Weight 365.22 g/mol
Molecular Formula C16H14Cl2N4O2
Exact Mass 364.049381 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HPbu1rj5PxP
Name 3',4'-Dichloro-3-(nicotinoylhydrazono)butyranilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.049381105 u
Formula C16H14Cl2N4O2
InChI InChI=1S/C16H14Cl2N4O2/c1-10(21-22-16(24)11-3-2-6-19-9-11)7-15(23)20-12-4-5-13(17)14(18)8-12/h2-6,8-9H,7H2,1H3,(H,20,23)(H,22,24)/b21-10+
InChIKey MSKHTEOICNEEDP-UFFVCSGVSA-N
Molecular Weight 365.220 g/mol
SMILES C(C1=CN=CC=C1)(N\N=C\(CC(NC=1C=C(Cl)C(=CC1)Cl)=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913719