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N-[1-(1-adamantyl)ethyl]-4-iodo-1H-pyrazole-3-carboxamide
SpectraBase Compound ID HJQjnP4qFgO
InChI InChI=1S/C16H22IN3O/c1-9(19-15(21)14-13(17)8-18-20-14)16-5-10-2-11(6-16)4-12(3-10)7-16/h8-12H,2-7H2,1H3,(H,18,20)(H,19,21)/t9?,10-,11+,12-,16-
InChIKey CSOZLTBQWMXVDI-UXBPOXNXSA-N
Mol Weight 399.28 g/mol
Molecular Formula C16H22IN3O
Exact Mass 399.080757 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8M6r2OBAlBf
Name N-[1-(1-adamantyl)ethyl]-4-iodo-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/C16H22IN3O/c1-9(19-15(21)14-13(17)8-18-20-14)16-5-10-2-11(6-16)4-12(3-10)7-16/h8-12H,2-7H2,1H3,(H,18,20)(H,19,21)/t9?,10-,11+,12-,16-
InChIKey CSOZLTBQWMXVDI-UXBPOXNXSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19155
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/9136477; UBI_ID: UBI-019158
Temperature 308 °C