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3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2-methoxydibenzo[b,d]furan-3-yl)-1-adamantanecarboxamide
SpectraBase Compound ID 1QdDlE0bvp5
InChI InChI=1S/C26H25BrN4O3/c1-33-22-7-18-17-4-2-3-5-20(17)34-21(18)8-19(22)29-23(32)25-9-15-6-16(10-25)12-26(11-15,13-25)31-14-28-24(27)30-31/h2-5,7-8,14-16H,6,9-13H2,1H3,(H,29,32)/t15-,16+,25+,26-
InChIKey JQJZCQHTMURWMD-XASAACHHSA-N
Mol Weight 521.42 g/mol
Molecular Formula C26H25BrN4O3
Exact Mass 520.111004 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4LbnWoe4d3D
Name 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2-methoxydibenzo[b,d]furan-3-yl)-1-adamantanecarboxamide
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/C26H25BrN4O3/c1-33-22-7-18-17-4-2-3-5-20(17)34-21(18)8-19(22)29-23(32)25-9-15-6-16(10-25)12-26(11-15,13-25)31-14-28-24(27)30-31/h2-5,7-8,14-16H,6,9-13H2,1H3,(H,29,32)/t15-,16+,25+,26-
InChIKey JQJZCQHTMURWMD-XASAACHHSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19006
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/9133576; UBI_ID: UBI-019009
Temperature 308 °C