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4-Chloro-2-nitro-2',4',6'-trimethylbenzanilide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

4-Chloro-2-nitro-2',4',6'-trimethylbenzanilide
SpectraBase Compound ID 2y81nI6P6qE
InChI InChI=1S/C16H15ClN2O3/c1-9-6-10(2)15(11(3)7-9)18-16(20)13-5-4-12(17)8-14(13)19(21)22/h4-8H,1-3H3,(H,18,20)
InChIKey WBFVRWHRQFISDC-UHFFFAOYSA-N
Mol Weight 318.76 g/mol
Molecular Formula C16H15ClN2O3
Exact Mass 318.07712 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EmbzIO5hT4v
Name 4-Chloro-2-nitro-2',4',6'-trimethylbenzanilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.077120048 u
Formula C16H15ClN2O3
InChI InChI=1S/C16H15ClN2O3/c1-9-6-10(2)15(11(3)7-9)18-16(20)13-5-4-12(17)8-14(13)19(21)22/h4-8H,1-3H3,(H,18,20)
InChIKey WBFVRWHRQFISDC-UHFFFAOYSA-N
SMILES N(C=1C(=CC(=CC1C)C)C)C(C=1C(=CC(=CC1)Cl)N(=O)=O)=O
Spectrum/Structure Validation Score (Raman) 0.980141