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2-thiophenecarboxylic acid, 3-[[[bis(phenylmethyl)amino]carbonothioyl]amino]-, methyl ester
SpectraBase Compound ID JPv4a2E5DVV
InChI InChI=1S/C21H20N2O2S2/c1-25-20(24)19-18(12-13-27-19)22-21(26)23(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-13H,14-15H2,1H3,(H,22,26)
InChIKey CJVKRTYYZAOZPK-UHFFFAOYSA-N
Mol Weight 396.52 g/mol
Molecular Formula C21H20N2O2S2
Exact Mass 396.09662 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GTVGl8NHGfr
Name 2-thiophenecarboxylic acid, 3-[[[bis(phenylmethyl)amino]carbonothioyl]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 396.096620238 u
Formula C21H20N2O2S2
InChI InChI=1S/C21H20N2O2S2/c1-25-20(24)19-18(12-13-27-19)22-21(26)23(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-13H,14-15H2,1H3,(H,22,26)
InChIKey CJVKRTYYZAOZPK-UHFFFAOYSA-N
Molecular Weight 396.523 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_809
Solvent DMSO-d6
Source Vendor ID: NMR/13239243