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N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-[(1-methyl-1H-pyrazol-5-yl)carbonyl]thiourea
SpectraBase Compound ID 4aFhvVWMZsy
InChI InChI=1S/C15H15N5OS2/c1-20-11(6-7-17-20)13(21)18-15(22)19-14-10(8-16)9-4-2-3-5-12(9)23-14/h6-7H,2-5H2,1H3,(H2,18,19,21,22)
InChIKey KOEXSUYCCDGHOQ-UHFFFAOYSA-N
Mol Weight 345.44 g/mol
Molecular Formula C15H15N5OS2
Exact Mass 345.071802 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5GLbBmv4Aqc
Name N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-[(1-methyl-1H-pyrazol-5-yl)carbonyl]thiourea
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/C15H15N5OS2/c1-20-11(6-7-17-20)13(21)18-15(22)19-14-10(8-16)9-4-2-3-5-12(9)23-14/h6-7H,2-5H2,1H3,(H2,18,19,21,22)
InChIKey KOEXSUYCCDGHOQ-UHFFFAOYSA-N
NMR Offset 17.5245
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_15179
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/6198473; UBI_ID: UBI-015182
Temperature 300 °C