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ethyl 2-({[1-(1-adamantyl)-4-bromo-1H-pyrazol-3-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID 8mAuZaGMKE5
InChI InChI=1S/C23H28BrN3O3S/c1-4-30-22(29)18-12(2)13(3)31-21(18)25-20(28)19-17(24)11-27(26-19)23-8-14-5-15(9-23)7-16(6-14)10-23/h11,14-16H,4-10H2,1-3H3,(H,25,28)/t14-,15+,16-,23-
InChIKey XEGFWKFUZKVUFD-FSUVMKLBSA-N
Mol Weight 506.46 g/mol
Molecular Formula C23H28BrN3O3S
Exact Mass 505.103476 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CCOjoEu0aB2
Name ethyl 2-({[1-(1-adamantyl)-4-bromo-1H-pyrazol-3-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
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/C23H28BrN3O3S/c1-4-30-22(29)18-12(2)13(3)31-21(18)25-20(28)19-17(24)11-27(26-19)23-8-14-5-15(9-23)7-16(6-14)10-23/h11,14-16H,4-10H2,1-3H3,(H,25,28)/t14-,15+,16-,23-
InChIKey XEGFWKFUZKVUFD-FSUVMKLBSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12356
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/9100374; UBI_ID: UBI-012359
Temperature 313 °C