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2-({3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

View entire compound with spectra: 1 NMR

2-({3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
SpectraBase Compound ID CS0vbk5A2RR
InChI InChI=1S/C24H27BrN4O2S/c1-14-21(25)15(2)29(28-14)13-16-8-7-9-17(12-16)23(31)27-24-20(22(26)30)18-10-5-3-4-6-11-19(18)32-24/h7-9,12H,3-6,10-11,13H2,1-2H3,(H2,26,30)(H,27,31)
InChIKey PTTUMBCIVFTIOH-UHFFFAOYSA-N
Mol Weight 515.47 g/mol
Molecular Formula C24H27BrN4O2S
Exact Mass 514.10381 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jjmf2eKq5f
Name 2-({3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-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/C24H27BrN4O2S/c1-14-21(25)15(2)29(28-14)13-16-8-7-9-17(12-16)23(31)27-24-20(22(26)30)18-10-5-3-4-6-11-19(18)32-24/h7-9,12H,3-6,10-11,13H2,1-2H3,(H2,26,30)(H,27,31)
InChIKey PTTUMBCIVFTIOH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4706
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/8127116; UBI_ID: UBI-004707
Temperature 318 °C