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4-(2-Chloro-4,6-dimethylanilino)-4-oxobutanoic acid

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

4-(2-Chloro-4,6-dimethylanilino)-4-oxobutanoic acid
SpectraBase Compound ID LuaOvTEO6di
InChI InChI=1S/C12H14ClNO3/c1-7-5-8(2)12(9(13)6-7)14-10(15)3-4-11(16)17/h5-6H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKey NGPHKUQIHJHPFF-UHFFFAOYSA-N
Mol Weight 255.7 g/mol
Molecular Formula C12H14ClNO3
Exact Mass 255.066221 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lxf2arfOyZH
Name 4-(2-chloro-4,6-dimethylanilino)-4-oxobutanoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H14ClNO3/c1-7-5-8(2)12(9(13)6-7)14-10(15)3-4-11(16)17/h5-6H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKey NGPHKUQIHJHPFF-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_2029
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: ZI/8040268; Labnumber: BOS-bs80766; IOH_ID: IOH-002030
Temperature 303 °C