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1-(2-adamantyl)-4-{5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}piperazine
SpectraBase Compound ID F83WJrFebqv
InChI InChI=1S/C23H29BrN4O2/c24-19-12-25-28(13-19)14-20-1-2-21(30-20)23(29)27-5-3-26(4-6-27)22-17-8-15-7-16(10-17)11-18(22)9-15/h1-2,12-13,15-18,22H,3-11,14H2/t15-,16+,17-,18+,22?
InChIKey IVYRPHWBWIVMFS-WFVIJZHKSA-N
Mol Weight 473.42 g/mol
Molecular Formula C23H29BrN4O2
Exact Mass 472.147389 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AkyTylPoOyX
Name 1-(2-adamantyl)-4-{5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}piperazine
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/C23H29BrN4O2/c24-19-12-25-28(13-19)14-20-1-2-21(30-20)23(29)27-5-3-26(4-6-27)22-17-8-15-7-16(10-17)11-18(22)9-15/h1-2,12-13,15-18,22H,3-11,14H2/t15-,16+,17-,18+,22?
InChIKey IVYRPHWBWIVMFS-WFVIJZHKSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18980
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/9132923; UBI_ID: UBI-018983
Temperature 308 °C