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6-benzothiazolecarboxylic acid, 2-[[[[[(4,6-diphenyl-2-pyrimidinyl)thio]acetyl]oxy]acetyl]amino]-, methyl ester
SpectraBase Compound ID DFiUitugo3F
InChI InChI=1S/C29H22N4O5S2/c1-37-27(36)20-12-13-21-24(14-20)40-29(30-21)33-25(34)16-38-26(35)17-39-28-31-22(18-8-4-2-5-9-18)15-23(32-28)19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,30,33,34)
InChIKey SMGUBCZSNYCPQO-UHFFFAOYSA-N
Mol Weight 570.64 g/mol
Molecular Formula C29H22N4O5S2
Exact Mass 570.103162 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 63gLBpfXeqT
Name 6-benzothiazolecarboxylic acid, 2-[[[[[(4,6-diphenyl-2-pyrimidinyl)thio]acetyl]oxy]acetyl]amino]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 570.103162167 u
Formula C29H22N4O5S2
InChI InChI=1S/C29H22N4O5S2/c1-37-27(36)20-12-13-21-24(14-20)40-29(30-21)33-25(34)16-38-26(35)17-39-28-31-22(18-8-4-2-5-9-18)15-23(32-28)19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,30,33,34)
InChIKey SMGUBCZSNYCPQO-UHFFFAOYSA-N
Molecular Weight 570.638 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_502
Solvent DMSO-d6
Source Vendor ID: ZI/8088607; Lab Info: L-23,Zavozin; Lab Number: L-23/0006150
Temperature 23.85 °C