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1-(1-adamantyl)-N-[3-(aminocarbonyl)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-4-bromo-1H-pyrazole-3-carboxamide

View entire compound with spectra: 1 NMR

1-(1-adamantyl)-N-[3-(aminocarbonyl)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-4-bromo-1H-pyrazole-3-carboxamide
SpectraBase Compound ID Iiqt9NlyQWP
InChI InChI=1S/C28H37BrN4O2S/c1-4-27(2,3)18-5-6-19-21(10-18)36-26(22(19)24(30)34)31-25(35)23-20(29)14-33(32-23)28-11-15-7-16(12-28)9-17(8-15)13-28/h14-18H,4-13H2,1-3H3,(H2,30,34)(H,31,35)/t15-,16+,17-,18?,28-
InChIKey GLDYRXLFSUFMHA-NKGNUOLWSA-N
Mol Weight 573.6 g/mol
Molecular Formula C28H37BrN4O2S
Exact Mass 572.182061 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1n8CazB67kB
Name 1-(1-adamantyl)-N-[3-(aminocarbonyl)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-4-bromo-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/C28H37BrN4O2S/c1-4-27(2,3)18-5-6-19-21(10-18)36-26(22(19)24(30)34)31-25(35)23-20(29)14-33(32-23)28-11-15-7-16(12-28)9-17(8-15)13-28/h14-18H,4-13H2,1-3H3,(H2,30,34)(H,31,35)/t15-,16+,17-,18?,28-
InChIKey GLDYRXLFSUFMHA-NKGNUOLWSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11024
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Source File Reference VendorID: UZI/9082438; UBI_ID: UBI-011027
Temperature 313 °C