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3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1-adamantanecarboxamide
SpectraBase Compound ID IYhuTKXa9va
InChI InChI=1S/C22H27BrN4O4/c1-29-16-5-15(6-17(30-2)18(16)31-3)25-19(28)21-7-13-4-14(8-21)10-22(9-13,11-21)27-12-24-20(23)26-27/h5-6,12-14H,4,7-11H2,1-3H3,(H,25,28)/t13-,14+,21+,22-
InChIKey OSEHNXUUDAZGTC-ZYKUOIRYSA-N
Mol Weight 491.39 g/mol
Molecular Formula C22H27BrN4O4
Exact Mass 490.121568 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9xAjHUnGeSw
Name 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)-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/C22H27BrN4O4/c1-29-16-5-15(6-17(30-2)18(16)31-3)25-19(28)21-7-13-4-14(8-21)10-22(9-13,11-21)27-12-24-20(23)26-27/h5-6,12-14H,4,7-11H2,1-3H3,(H,25,28)/t13-,14+,21+,22-
InChIKey OSEHNXUUDAZGTC-ZYKUOIRYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20070
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/9157428; UBI_ID: UBI-020074
Temperature 308 °C