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1-(1-adamantyl)-3-bromo-5-nitro-1H-1,2,4-triazole

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1-(1-adamantyl)-3-bromo-5-nitro-1H-1,2,4-triazole
SpectraBase Compound ID 81BwSKoCWl8
InChI InChI=1S/C12H15BrN4O2/c13-10-14-11(17(18)19)16(15-10)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2/t7-,8-,9-,12-
InChIKey XHBXIPQVVVQUFF-JHWSGCBOSA-N
Mol Weight 327.18 g/mol
Molecular Formula C12H15BrN4O2
Exact Mass 326.037839 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FsbZ37NokiA
Name 1-(1-adamantyl)-3-bromo-5-nitro-1H-1,2,4-triazole
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H15BrN4O2/c13-10-14-11(17(18)19)16(15-10)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2/t7-,8-,9-,12-
InChIKey XHBXIPQVVVQUFF-JHWSGCBOSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14838
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/1020275; UBI_ID: UBI-014841
Temperature 300 °C