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N-[1-(1-adamantyl)-1H-pyrazol-3-yl]-3-[(2-bromophenoxy)methyl]-4-methoxybenzamide
SpectraBase Compound ID 3Zw3FLkCwAb
InChI InChI=1S/C28H30BrN3O3/c1-34-24-7-6-21(13-22(24)17-35-25-5-3-2-4-23(25)29)27(33)30-26-8-9-32(31-26)28-14-18-10-19(15-28)12-20(11-18)16-28/h2-9,13,18-20H,10-12,14-17H2,1H3,(H,30,31,33)/t18-,19+,20-,28-
InChIKey RNIXXKVCNJXLBW-SEAGLFGOSA-N
Mol Weight 536.47 g/mol
Molecular Formula C28H30BrN3O3
Exact Mass 535.147055 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LtwXmOdhifp
Name N-[1-(1-adamantyl)-1H-pyrazol-3-yl]-3-[(2-bromophenoxy)methyl]-4-methoxybenzamide
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/C28H30BrN3O3/c1-34-24-7-6-21(13-22(24)17-35-25-5-3-2-4-23(25)29)27(33)30-26-8-9-32(31-26)28-14-18-10-19(15-28)12-20(11-18)16-28/h2-9,13,18-20H,10-12,14-17H2,1H3,(H,30,31,33)/t18-,19+,20-,28-
InChIKey RNIXXKVCNJXLBW-SEAGLFGOSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10143
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/1023067; Labnumber: JVT2715; UZI_ID: UZI-010145
Temperature 308 °C