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N-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]-N'-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)thiourea
SpectraBase Compound ID LekC6XS0x6S
InChI InChI=1S/C16H16ClN5OS2/c1-22-8-11(17)13(21-22)14(23)19-16(24)20-15-10(7-18)9-5-3-2-4-6-12(9)25-15/h8H,2-6H2,1H3,(H2,19,20,23,24)
InChIKey JYDNBCPJVQPHFK-UHFFFAOYSA-N
Mol Weight 393.91 g/mol
Molecular Formula C16H16ClN5OS2
Exact Mass 393.04848 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3j7RlVJd1PE
Name N-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]-N'-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)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/C16H16ClN5OS2/c1-22-8-11(17)13(21-22)14(23)19-16(24)20-15-10(7-18)9-5-3-2-4-6-12(9)25-15/h8H,2-6H2,1H3,(H2,19,20,23,24)
InChIKey JYDNBCPJVQPHFK-UHFFFAOYSA-N
NMR Offset 17.5245
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_15329
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/6213781; UBI_ID: UBI-015332
Temperature 300 °C