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1,4-benzenedicarboxylic acid, 2-[[[bis(phenylmethyl)amino]carbonothioyl]amino]-, dimethyl ester
SpectraBase Compound ID 469HG094crt
InChI InChI=1S/C25H24N2O4S/c1-30-23(28)20-13-14-21(24(29)31-2)22(15-20)26-25(32)27(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15H,16-17H2,1-2H3,(H,26,32)
InChIKey RUINTKZNBQZKCS-UHFFFAOYSA-N
Mol Weight 448.54 g/mol
Molecular Formula C25H24N2O4S
Exact Mass 448.145678 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Isp7RL9Jk1l
Name 1,4-benzenedicarboxylic acid, 2-[[[bis(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 448.145678431 u
Formula C25H24N2O4S
InChI InChI=1S/C25H24N2O4S/c1-30-23(28)20-13-14-21(24(29)31-2)22(15-20)26-25(32)27(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15H,16-17H2,1-2H3,(H,26,32)
InChIKey RUINTKZNBQZKCS-UHFFFAOYSA-N
Molecular Weight 448.537 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_813
Solvent DMSO-d6
Source Vendor ID: NMR/13239248