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1,4-benzenedicarboxylic acid, 2-[[[(1-methylethyl)(phenylmethyl)amino]carbonothioyl]amino]-, dimethyl ester
SpectraBase Compound ID 4oMftDbiljy
InChI InChI=1S/C21H24N2O4S/c1-14(2)23(13-15-8-6-5-7-9-15)21(28)22-18-12-16(19(24)26-3)10-11-17(18)20(25)27-4/h5-12,14H,13H2,1-4H3,(H,22,28)
InChIKey UFUMUTRNLMTFCX-UHFFFAOYSA-N
Mol Weight 400.49 g/mol
Molecular Formula C21H24N2O4S
Exact Mass 400.145678 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 51Zcd4QcRV4
Name 1,4-benzenedicarboxylic acid, 2-[[[(1-methylethyl)(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 400.145678431 u
Formula C21H24N2O4S
InChI InChI=1S/C21H24N2O4S/c1-14(2)23(13-15-8-6-5-7-9-15)21(28)22-18-12-16(19(24)26-3)10-11-17(18)20(25)27-4/h5-12,14H,13H2,1-4H3,(H,22,28)
InChIKey UFUMUTRNLMTFCX-UHFFFAOYSA-N
Molecular Weight 400.493 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1015
Solvent DMSO-d6
Source Vendor ID: NMR/13239599