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4-({[(4-hydroxy-6-propyl-2-pyrimidinyl)sulfanyl]acetyl}amino)phenyl thiocyanate
SpectraBase Compound ID 7Yt61YdHje
InChI InChI=1S/C16H16N4O2S2/c1-2-3-12-8-14(21)20-16(19-12)23-9-15(22)18-11-4-6-13(7-5-11)24-10-17/h4-8H,2-3,9H2,1H3,(H,18,22)(H,19,20,21)
InChIKey QRHHMQVQXRTAMN-UHFFFAOYSA-N
Mol Weight 360.45 g/mol
Molecular Formula C16H16N4O2S2
Exact Mass 360.071468 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID lt6BdGVPSa
Name 4-({[(4-hydroxy-6-propyl-2-pyrimidinyl)sulfanyl]acetyl}amino)phenyl thiocyanate
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/C16H16N4O2S2/c1-2-3-12-8-14(21)20-16(19-12)23-9-15(22)18-11-4-6-13(7-5-11)24-10-17/h4-8H,2-3,9H2,1H3,(H,18,22)(H,19,20,21)
InChIKey QRHHMQVQXRTAMN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_15931
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: D09441; Labnumber: KUPS-0521; SBI_ID: SBI-015934
Temperature 318 °C