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N-[1-(1-adamantyl)-1H-pyrazol-3-yl]-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
SpectraBase Compound ID L0aBWyt6FuG
InChI InChI=1S/C18H22IN5O/c1-23-10-14(19)16(22-23)17(25)20-15-2-3-24(21-15)18-7-11-4-12(8-18)6-13(5-11)9-18/h2-3,10-13H,4-9H2,1H3,(H,20,21,25)/t11-,12+,13-,18-
InChIKey IWXSLDCXUNFMOG-MCXHQAMOSA-N
Mol Weight 451.31 g/mol
Molecular Formula C18H22IN5O
Exact Mass 451.086905 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KTxpfD8lsw9
Name N-[1-(1-adamantyl)-1H-pyrazol-3-yl]-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
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/C18H22IN5O/c1-23-10-14(19)16(22-23)17(25)20-15-2-3-24(21-15)18-7-11-4-12(8-18)6-13(5-11)9-18/h2-3,10-13H,4-9H2,1H3,(H,20,21,25)/t11-,12+,13-,18-
InChIKey IWXSLDCXUNFMOG-MCXHQAMOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14472
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/1017396; UBI_ID: UBI-014475
Temperature 318 °C