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2-{[3-({3-[2-(aminocarbonyl)anilino]-3-oxopropyl}sulfanyl)propanoyl]amino}benzamide
SpectraBase Compound ID IAftvqoX6eZ
InChI InChI=1S/C20H22N4O4S/c21-19(27)13-5-1-3-7-15(13)23-17(25)9-11-29-12-10-18(26)24-16-8-4-2-6-14(16)20(22)28/h1-8H,9-12H2,(H2,21,27)(H2,22,28)(H,23,25)(H,24,26)
InChIKey OZRSGRBYCMFDDC-UHFFFAOYSA-N
Mol Weight 414.48 g/mol
Molecular Formula C20H22N4O4S
Exact Mass 414.136176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ERCpMI01UrI
Name 2-{[3-({3-[2-(aminocarbonyl)anilino]-3-oxopropyl}sulfanyl)propanoyl]amino}benzamide
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/C20H22N4O4S/c21-19(27)13-5-1-3-7-15(13)23-17(25)9-11-29-12-10-18(26)24-16-8-4-2-6-14(16)20(22)28/h1-8H,9-12H2,(H2,21,27)(H2,22,28)(H,23,25)(H,24,26)
InChIKey OZRSGRBYCMFDDC-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13078
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: UZI/9042153; UBI_ID: UBI-013081
Temperature 313 °C