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N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)thiourea
SpectraBase Compound ID 6zaxNX9cPwU
InChI InChI=1S/C22H20BrN5OS2/c23-16-11-25-28(13-16)12-14-6-8-15(9-7-14)20(29)26-22(30)27-21-18(10-24)17-4-2-1-3-5-19(17)31-21/h6-9,11,13H,1-5,12H2,(H2,26,27,29,30)
InChIKey MQYVGDPQCSRTPF-UHFFFAOYSA-N
Mol Weight 514.46 g/mol
Molecular Formula C22H20BrN5OS2
Exact Mass 513.029266 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8fWwCS1qSIx
Name N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-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/C22H20BrN5OS2/c23-16-11-25-28(13-16)12-14-6-8-15(9-7-14)20(29)26-22(30)27-21-18(10-24)17-4-2-1-3-5-19(17)31-21/h6-9,11,13H,1-5,12H2,(H2,26,27,29,30)
InChIKey MQYVGDPQCSRTPF-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_21165
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/9674058; UBI_ID: UBI-021169
Temperature 313 °C