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3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-adamantanecarboxamide
SpectraBase Compound ID Ffsd4Jn9qhO
InChI InChI=1S/C23H27BrN6O5S/c24-20-26-21(30(32)33)27-29(20)23-12-15-9-16(13-23)11-22(10-15,14-23)19(31)25-17-3-5-18(6-4-17)36(34,35)28-7-1-2-8-28/h3-6,15-16H,1-2,7-14H2,(H,25,31)/t15-,16+,22+,23-
InChIKey LIOFNGYCADKXMP-UPQFZMOLSA-N
Mol Weight 579.47 g/mol
Molecular Formula C23H27BrN6O5S
Exact Mass 578.094702 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FdanR2fQ4cG
Name 3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-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/C23H27BrN6O5S/c24-20-26-21(30(32)33)27-29(20)23-12-15-9-16(13-23)11-22(10-15,14-23)19(31)25-17-3-5-18(6-4-17)36(34,35)28-7-1-2-8-28/h3-6,15-16H,1-2,7-14H2,(H,25,31)/t15-,16+,22+,23-
InChIKey LIOFNGYCADKXMP-UPQFZMOLSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11001
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent ACETONE-d6
Source File Reference VendorID: UZI/9081002; UBI_ID: UBI-011004
Temperature 308 °C