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6'-Chloro-2-(cyclohexylmethylamino)-o-acetotoluidide, monohydrochloride

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

6'-Chloro-2-(cyclohexylmethylamino)-o-acetotoluidide, monohydrochloride
SpectraBase Compound ID DaXx5iuDvvi
InChI InChI=1S/C16H23ClN2O.ClH/c1-12-7-6-10-14(17)16(12)18-15(20)11-19(2)13-8-4-3-5-9-13;/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,18,20);1H
InChIKey HENOSASMMMOQKW-UHFFFAOYSA-N
Mol Weight 331.29 g/mol
Molecular Formula C16H24Cl2N2O
Exact Mass 330.126569 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9UkZ9kRhELY
Name 6'-Chloro-2-(cyclohexylmethylamino)-o-acetotoluidide, monohydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.126568800 u
Formula C16H24Cl2N2O
InChI InChI=1S/C16H23ClN2O.ClH/c1-12-7-6-10-14(17)16(12)18-15(20)11-19(2)13-8-4-3-5-9-13;/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,18,20);1H
InChIKey HENOSASMMMOQKW-UHFFFAOYSA-N
SMILES Cl.N(C1=C(C=CC=C1Cl)C)C(CN(C1CCCCC1)C)=O
Spectrum/Structure Validation Score (Raman) 0.869356