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N-[1-({[4-(aminosulfonyl)anilino]carbothioyl}amino)-2,2,2-trichloroethyl]butanamide
SpectraBase Compound ID BdrSAxAKFAW
InChI InChI=1S/C13H17Cl3N4O3S2/c1-2-3-10(21)19-11(13(14,15)16)20-12(24)18-8-4-6-9(7-5-8)25(17,22)23/h4-7,11H,2-3H2,1H3,(H,19,21)(H2,17,22,23)(H2,18,20,24)
InChIKey LAEKGZQVJNQEEJ-UHFFFAOYSA-N
Mol Weight 447.78 g/mol
Molecular Formula C13H17Cl3N4O3S2
Exact Mass 445.980766 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fy3dDu7nfgj
Name N-[1-({[4-(aminosulfonyl)anilino]carbothioyl}amino)-2,2,2-trichloroethyl]butanamide
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/C13H17Cl3N4O3S2/c1-2-3-10(21)19-11(13(14,15)16)20-12(24)18-8-4-6-9(7-5-8)25(17,22)23/h4-7,11H,2-3H2,1H3,(H,19,21)(H2,17,22,23)(H2,18,20,24)
InChIKey LAEKGZQVJNQEEJ-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_994
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: 700017EX00007303; Labnumber: 700017EX00007303; VK_ID: VK-000995
Temperature 313 °C