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benzoic acid, 4-[3-[2-(acetylamino)ethyl]-4-[2-[[4-(ethoxycarbonyl)phenyl]amino]-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl]-, ethyl ester

View entire compound with spectra: 1 NMR

benzoic acid, 4-[3-[2-(acetylamino)ethyl]-4-[2-[[4-(ethoxycarbonyl)phenyl]amino]-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl]-, ethyl ester
SpectraBase Compound ID B30UQMJwDLN
InChI InChI=1S/C27H30N4O7S/c1-4-37-25(35)18-6-10-20(11-7-18)29-23(33)16-22-24(34)31(27(39)30(22)15-14-28-17(3)32)21-12-8-19(9-13-21)26(36)38-5-2/h6-13,22H,4-5,14-16H2,1-3H3,(H,28,32)(H,29,33)
InChIKey CECJHIYQTHJACP-UHFFFAOYSA-N
Mol Weight 554.62 g/mol
Molecular Formula C27H30N4O7S
Exact Mass 554.18352 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B7eaJvMfpDo
Name benzoic acid, 4-[3-[2-(acetylamino)ethyl]-4-[2-[[4-(ethoxycarbonyl)phenyl]amino]-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl]-, ethyl ester
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/C27H30N4O7S/c1-4-37-25(35)18-6-10-20(11-7-18)29-23(33)16-22-24(34)31(27(39)30(22)15-14-28-17(3)32)21-12-8-19(9-13-21)26(36)38-5-2/h6-13,22H,4-5,14-16H2,1-3H3,(H,28,32)(H,29,33)
InChIKey CECJHIYQTHJACP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6870
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: NMR/12228209