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2-Pyrazineacetamide, N-(3-chloro-2-methylphenyl)hexahydro-3-oxo-

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

2-Pyrazineacetamide, N-(3-chloro-2-methylphenyl)hexahydro-3-oxo-
SpectraBase Compound ID HrrqaZUbDbZ
InChI InChI=1S/C13H16ClN3O2/c1-8-9(14)3-2-4-10(8)17-12(18)7-11-13(19)16-6-5-15-11/h2-4,11,15H,5-7H2,1H3,(H,16,19)(H,17,18)
InChIKey HCLQSVITHNJPCQ-UHFFFAOYSA-N
Mol Weight 281.74 g/mol
Molecular Formula C13H16ClN3O2
Exact Mass 281.093104 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C0hcEvFyRjY
Name 2-Pyrazineacetamide, N-(3-chloro-2-methylphenyl)hexahydro-3-oxo-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.093104465 u
Formula C13H16ClN3O2
InChI InChI=1S/C13H16ClN3O2/c1-8-9(14)3-2-4-10(8)17-12(18)7-11-13(19)16-6-5-15-11/h2-4,11,15H,5-7H2,1H3,(H,16,19)(H,17,18)
InChIKey HCLQSVITHNJPCQ-UHFFFAOYSA-N
SMILES C1(C(CC(NC2=C(C(=CC=C2)Cl)C)=O)NCCN1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974039