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carbonodithioimidic acid, [(4-nitrophenyl)sulfonyl]-,bis(phenylmethyl) ester
SpectraBase Compound ID I6sFXhHlJlh
InChI InChI=1S/C21H18N2O4S3/c24-23(25)19-11-13-20(14-12-19)30(26,27)22-21(28-15-17-7-3-1-4-8-17)29-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKey STOUCLKGQYOHSV-UHFFFAOYSA-N
Mol Weight 458.57 g/mol
Molecular Formula C21H18N2O4S3
Exact Mass 458.042871 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D8iMZZpEkB5
Name carbonodithioimidic acid, [(4-nitrophenyl)sulfonyl]-,bis(phenylmethyl) 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 458.042870586 u
Formula C21H18N2O4S3
InChI InChI=1S/C21H18N2O4S3/c24-23(25)19-11-13-20(14-12-19)30(26,27)22-21(28-15-17-7-3-1-4-8-17)29-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKey STOUCLKGQYOHSV-UHFFFAOYSA-N
Molecular Weight 458.565 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3928
Solvent DMSO-d6
Source Vendor ID: NMR/9244679; Lab Info: LP; Lab Number: LP-2190705
Temperature 29.85 °C