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3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-1-adamantanecarboxamide

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3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-1-adamantanecarboxamide
SpectraBase Compound ID 7KtFcW9yQXw
InChI InChI=1S/C22H25BrN4O/c23-20-24-13-27(26-20)22-10-14-6-15(11-22)9-21(8-14,12-22)19(28)25-18-5-4-16-2-1-3-17(16)7-18/h4-5,7,13-15H,1-3,6,8-12H2,(H,25,28)/t14-,15+,21+,22-
InChIKey NAQIGFCZTPSYQM-QGYQNMSGSA-N
Mol Weight 441.37 g/mol
Molecular Formula C22H25BrN4O
Exact Mass 440.121174 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EqoqoYLLUWB
Name 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2,3-dihydro-1H-inden-5-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/C22H25BrN4O/c23-20-24-13-27(26-20)22-10-14-6-15(11-22)9-21(8-14,12-22)19(28)25-18-5-4-16-2-1-3-17(16)7-18/h4-5,7,13-15H,1-3,6,8-12H2,(H,25,28)/t14-,15+,21+,22-
InChIKey NAQIGFCZTPSYQM-QGYQNMSGSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20396
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/9163897; UBI_ID: UBI-020400
Temperature 308 °C