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N-(1-adamantyl)-3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-methyl-1-adamantanecarboxamide
SpectraBase Compound ID 494SvhEirK6
InChI InChI=1S/C24H32BrN5O3/c1-28(23-8-14-2-15(9-23)4-16(3-14)10-23)19(31)22-6-17-5-18(7-22)12-24(11-17,13-22)29-20(25)26-21(27-29)30(32)33/h14-18H,2-13H2,1H3
InChIKey URPGJSVLNBLNOR-UHFFFAOYSA-N
Mol Weight 518.5 g/mol
Molecular Formula C24H32BrN5O3
Exact Mass 517.168853 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID oLk5VFcil0
Name N-(1-adamantyl)-3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-methyl-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/C24H32BrN5O3/c1-28(23-8-14-2-15(9-23)4-16(3-14)10-23)19(31)22-6-17-5-18(7-22)12-24(11-17,13-22)29-20(25)26-21(27-29)30(32)33/h14-18H,2-13H2,1H3
InChIKey URPGJSVLNBLNOR-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19379
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/9141188; UBI_ID: UBI-019383
Temperature 308 °C