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6-{[(3-chloroanilino)carbothioyl]amino}hexanoic acid
SpectraBase Compound ID JvxuhKXShY4
InChI InChI=1S/C13H17ClN2O2S/c14-10-5-4-6-11(9-10)16-13(19)15-8-3-1-2-7-12(17)18/h4-6,9H,1-3,7-8H2,(H,17,18)(H2,15,16,19)
InChIKey FRLAKQGEMRXXHS-UHFFFAOYSA-N
Mol Weight 300.8 g/mol
Molecular Formula C13H17ClN2O2S
Exact Mass 300.069927 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GKj3p45eOZ9
Name 6-{[(3-chloroanilino)carbothioyl]amino}hexanoic 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/C13H17ClN2O2S/c14-10-5-4-6-11(9-10)16-13(19)15-8-3-1-2-7-12(17)18/h4-6,9H,1-3,7-8H2,(H,17,18)(H2,15,16,19)
InChIKey FRLAKQGEMRXXHS-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13812
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: UZI/9313537; UBI_ID: UBI-013815
Temperature 313 °C