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4-(4-bromophenyl)-2-[(6-{[4-(4-bromophenyl)-3-carboxy-2-thienyl]amino}-6-oxohexanoyl)amino]-3-thiophenecarboxylic acid
SpectraBase Compound ID 4fbDDdK3Y1m
InChI InChI=1S/C28H22Br2N2O6S2/c29-17-9-5-15(6-10-17)19-13-39-25(23(19)27(35)36)31-21(33)3-1-2-4-22(34)32-26-24(28(37)38)20(14-40-26)16-7-11-18(30)12-8-16/h5-14H,1-4H2,(H,31,33)(H,32,34)(H,35,36)(H,37,38)
InChIKey NATJESXUJKSRQU-UHFFFAOYSA-N
Mol Weight 706.42 g/mol
Molecular Formula C28H22Br2N2O6S2
Exact Mass 703.928605 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6vojeK4MFR
Name 4-(4-bromophenyl)-2-[(6-{[4-(4-bromophenyl)-3-carboxy-2-thienyl]amino}-6-oxohexanoyl)amino]-3-thiophenecarboxylic 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/C28H22Br2N2O6S2/c29-17-9-5-15(6-10-17)19-13-39-25(23(19)27(35)36)31-21(33)3-1-2-4-22(34)32-26-24(28(37)38)20(14-40-26)16-7-11-18(30)12-8-16/h5-14H,1-4H2,(H,31,33)(H,32,34)(H,35,36)(H,37,38)
InChIKey NATJESXUJKSRQU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2813
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: 114377; Labnumber: RRKR1-047; VK_ID: VK-002814
Temperature 318 °C