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4-{1-[(5-amino-2-chloroanilino)carbonyl]-3,3-dimethyl-2-oxobutoxy}benzoic acid
SpectraBase Compound ID 4zu3XRZExce
InChI InChI=1S/C20H21ClN2O5/c1-20(2,3)17(24)16(28-13-7-4-11(5-8-13)19(26)27)18(25)23-15-10-12(22)6-9-14(15)21/h4-10,16H,22H2,1-3H3,(H,23,25)(H,26,27)
InChIKey XLTGMNNJLKNJLD-UHFFFAOYSA-N
Mol Weight 404.85 g/mol
Molecular Formula C20H21ClN2O5
Exact Mass 404.113899 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KB3BLGnaknT
Name 4-{1-[(5-amino-2-chloroanilino)carbonyl]-3,3-dimethyl-2-oxobutoxy}benzoic 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/C20H21ClN2O5/c1-20(2,3)17(24)16(28-13-7-4-11(5-8-13)19(26)27)18(25)23-15-10-12(22)6-9-14(15)21/h4-10,16H,22H2,1-3H3,(H,23,25)(H,26,27)
InChIKey XLTGMNNJLKNJLD-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_18211
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: 987/00006947; Labnumber: 987/00006947218885; VK_ID: VK-018218
Temperature 308 °C