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3-Chloro-o-toluidine, N-trimethylacetyl-

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

3-Chloro-o-toluidine, N-trimethylacetyl-
SpectraBase Compound ID 4RpiQN13Dym
InChI InChI=1S/C12H16ClNO/c1-8-9(13)6-5-7-10(8)14-11(15)12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKey YQVJHVGXBACZLU-UHFFFAOYSA-N
Mol Weight 225.72 g/mol
Molecular Formula C12H16ClNO
Exact Mass 225.092042 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ALfEZ5Q4gOy
Name 3-Chloro-o-toluidine, N-trimethylacetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.092041838 u
Formula C12H16ClNO
InChI InChI=1S/C12H16ClNO/c1-8-9(13)6-5-7-10(8)14-11(15)12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKey YQVJHVGXBACZLU-UHFFFAOYSA-N
Molecular Weight 225.719 g/mol
SMILES C1(=C(C)C(=CC=C1)Cl)NC(C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863325