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N-(4-iodophenyl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID CwmbTekxn0M
InChI InChI=1S/C19H20IN5O3/c20-14-1-3-15(4-2-14)22-16(26)18-6-12-5-13(7-18)9-19(8-12,10-18)24-11-21-17(23-24)25(27)28/h1-4,11-13H,5-10H2,(H,22,26)/t12-,13+,18+,19-
InChIKey RCCXALIMIANPCL-FUOYASODSA-N
Mol Weight 493.31 g/mol
Molecular Formula C19H20IN5O3
Exact Mass 493.061085 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D3kDXq3tyfP
Name N-(4-iodophenyl)-3-(3-nitro-1H-1,2,4-triazol-1-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/C19H20IN5O3/c20-14-1-3-15(4-2-14)22-16(26)18-6-12-5-13(7-18)9-19(8-12,10-18)24-11-21-17(23-24)25(27)28/h1-4,11-13H,5-10H2,(H,22,26)/t12-,13+,18+,19-
InChIKey RCCXALIMIANPCL-FUOYASODSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18995
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/9133335; UBI_ID: UBI-018998
Temperature 308 °C