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Butanoic acid, 4-methylthio-2-(4-nitrophenylsulfonylamino)-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Butanoic acid, 4-methylthio-2-(4-nitrophenylsulfonylamino)-, methyl ester
SpectraBase Compound ID 1T2jaJNZ7Ki
InChI InChI=1S/C12H16N2O6S2/c1-20-12(15)11(7-8-21-2)13-22(18,19)10-5-3-9(4-6-10)14(16)17/h3-6,11,13H,7-8H2,1-2H3
InChIKey SYQKXKJIXCWEDB-UHFFFAOYSA-N
Mol Weight 348.39 g/mol
Molecular Formula C12H16N2O6S2
Exact Mass 348.044979 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7vqP3WNZDwy
Name methyl 4-(methylsulfanyl)-2-{[(4-nitrophenyl)sulfonyl]amino}butanoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H16N2O6S2/c1-20-12(15)11(7-8-21-2)13-22(18,19)10-5-3-9(4-6-10)14(16)17/h3-6,11,13H,7-8H2,1-2H3
InChIKey SYQKXKJIXCWEDB-UHFFFAOYSA-N
NMR Offset 18.0134
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_2052
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: ZI/7028376; Labnumber: AL-0000145; IOH_ID: IOH-002053
Temperature 297 °C