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methyl 4-{1-[(5-amino-2-chloroanilino)carbonyl]-3,3-dimethyl-2-oxobutoxy}benzoate
SpectraBase Compound ID 1pfayKS4KCS
InChI InChI=1S/C21H23ClN2O5/c1-21(2,3)18(25)17(19(26)24-16-11-13(23)7-10-15(16)22)29-14-8-5-12(6-9-14)20(27)28-4/h5-11,17H,23H2,1-4H3,(H,24,26)
InChIKey AJPDYXHATAXPGQ-UHFFFAOYSA-N
Mol Weight 418.88 g/mol
Molecular Formula C21H23ClN2O5
Exact Mass 418.12955 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L6XxInEQHoS
Name methyl 4-{1-[(5-amino-2-chloroanilino)carbonyl]-3,3-dimethyl-2-oxobutoxy}benzoate
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/C21H23ClN2O5/c1-21(2,3)18(25)17(19(26)24-16-11-13(23)7-10-15(16)22)29-14-8-5-12(6-9-14)20(27)28-4/h5-11,17H,23H2,1-4H3,(H,24,26)
InChIKey AJPDYXHATAXPGQ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_18252
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: 987/00007020; Labnumber: 987/00007020218886; VK_ID: VK-018259
Temperature 305 °C