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methyl [4-({[(3-pyridinylmethyl)amino]carbothioyl}amino)phenyl]acetate
SpectraBase Compound ID 7c616kU9dF5
InChI InChI=1S/C16H17N3O2S/c1-21-15(20)9-12-4-6-14(7-5-12)19-16(22)18-11-13-3-2-8-17-10-13/h2-8,10H,9,11H2,1H3,(H2,18,19,22)
InChIKey SSJVNSFDLNOFNX-UHFFFAOYSA-N
Mol Weight 315.39 g/mol
Molecular Formula C16H17N3O2S
Exact Mass 315.104148 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F9LY0h8Zgc5
Name methyl [4-({[(3-pyridinylmethyl)amino]carbothioyl}amino)phenyl]acetate
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/C16H17N3O2S/c1-21-15(20)9-12-4-6-14(7-5-12)19-16(22)18-11-13-3-2-8-17-10-13/h2-8,10H,9,11H2,1H3,(H2,18,19,22)
InChIKey SSJVNSFDLNOFNX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11641
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: E09166; Labnumber: VGU-21277; SBI_ID: SBI-011644
Temperature 318 °C