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4-bromo-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
SpectraBase Compound ID LohfQ9nnUwR
InChI InChI=1S/C21H27BrN4OS/c1-14-18(22)19(25-26(14)2)20(27)24-21-16(13-23)15-11-9-7-5-3-4-6-8-10-12-17(15)28-21/h3-12H2,1-2H3,(H,24,27)
InChIKey UOEJPJFSAVCPLA-UHFFFAOYSA-N
Mol Weight 463.44 g/mol
Molecular Formula C21H27BrN4OS
Exact Mass 462.108896 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AqIQjPesdTd
Name 4-bromo-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
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/C21H27BrN4OS/c1-14-18(22)19(25-26(14)2)20(27)24-21-16(13-23)15-11-9-7-5-3-4-6-8-10-12-17(15)28-21/h3-12H2,1-2H3,(H,24,27)
InChIKey UOEJPJFSAVCPLA-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9963
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/1026244; Labnumber: JVT0327; UZI_ID: UZI-009965
Temperature 308 °C