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1,4-benzenedicarboxylic acid, 2-[[[(2-phenylethyl)(phenylmethyl)amino]carbonothioyl]amino]-, dimethyl ester
SpectraBase Compound ID 9heqMgKSxue
InChI InChI=1S/C26H26N2O4S/c1-31-24(29)21-13-14-22(25(30)32-2)23(17-21)27-26(33)28(18-20-11-7-4-8-12-20)16-15-19-9-5-3-6-10-19/h3-14,17H,15-16,18H2,1-2H3,(H,27,33)
InChIKey ONAVGQXTMOSQST-UHFFFAOYSA-N
Mol Weight 462.56 g/mol
Molecular Formula C26H26N2O4S
Exact Mass 462.161328 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EPnEY0K7u8h
Name 1,4-benzenedicarboxylic acid, 2-[[[(2-phenylethyl)(phenylmethyl)amino]carbonothioyl]amino]-, dimethyl 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 462.161328495 u
Formula C26H26N2O4S
InChI InChI=1S/C26H26N2O4S/c1-31-24(29)21-13-14-22(25(30)32-2)23(17-21)27-26(33)28(18-20-11-7-4-8-12-20)16-15-19-9-5-3-6-10-19/h3-14,17H,15-16,18H2,1-2H3,(H,27,33)
InChIKey ONAVGQXTMOSQST-UHFFFAOYSA-N
Molecular Weight 462.564 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1011
Solvent DMSO-d6
Source Vendor ID: NMR/13239595