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4-[({[1-(acetylamino)-2,2,2-trichloroethyl]amino}carbothioyl)amino]benzoic acid
SpectraBase Compound ID 4qGCBjzcWij
InChI InChI=1S/C12H12Cl3N3O3S/c1-6(19)16-10(12(13,14)15)18-11(22)17-8-4-2-7(3-5-8)9(20)21/h2-5,10H,1H3,(H,16,19)(H,20,21)(H2,17,18,22)
InChIKey VZCJBBLUDCCECI-UHFFFAOYSA-N
Mol Weight 384.66 g/mol
Molecular Formula C12H12Cl3N3O3S
Exact Mass 382.966496 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BibHymzRN0e
Name 4-[({[1-(acetylamino)-2,2,2-trichloroethyl]amino}carbothioyl)amino]benzoic acid
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/C12H12Cl3N3O3S/c1-6(19)16-10(12(13,14)15)18-11(22)17-8-4-2-7(3-5-8)9(20)21/h2-5,10H,1H3,(H,16,19)(H,20,21)(H2,17,18,22)
InChIKey VZCJBBLUDCCECI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_15234
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: 987/00001576; Labnumber: 987/00001576218818; VK_ID: VK-015239
Temperature 318 °C