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2-(3-chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid

View entire compound with spectra: 1 NMR

2-(3-chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid
SpectraBase Compound ID EmHLy4M1WHO
InChI InChI=1S/C17H16ClNO3/c1-11-7-8-13(9-14(11)18)19-15(17(21)22)10-16(20)12-5-3-2-4-6-12/h2-9,15,19H,10H2,1H3,(H,21,22)
InChIKey CWDARYKLTKILHM-UHFFFAOYSA-N
Mol Weight 317.77 g/mol
Molecular Formula C17H16ClNO3
Exact Mass 317.081871 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H66KpzctQtk
Name 2-(3-chloro-4-methylanilino)-4-oxo-4-phenylbutanoic 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/C17H16ClNO3/c1-11-7-8-13(9-14(11)18)19-15(17(21)22)10-16(20)12-5-3-2-4-6-12/h2-9,15,19H,10H2,1H3,(H,21,22)
InChIKey CWDARYKLTKILHM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1589
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: C97921; Labnumber: RYK-7891; SBI_ID: SBI-001591
Temperature 318 °C