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1-[(4-iodo-1-methyl-1H-pyrazol-3-yl)carbonyl]hexahydro-1H-azepine
SpectraBase Compound ID JQvqY32zm3Z
InChI InChI=1S/C11H16IN3O/c1-14-8-9(12)10(13-14)11(16)15-6-4-2-3-5-7-15/h8H,2-7H2,1H3
InChIKey LKHTYHDSZKSQLM-UHFFFAOYSA-N
Mol Weight 333.17 g/mol
Molecular Formula C11H16IN3O
Exact Mass 333.033807 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DFV43CuTPjo
Name 1-[(4-iodo-1-methyl-1H-pyrazol-3-yl)carbonyl]hexahydro-1H-azepine
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/C11H16IN3O/c1-14-8-9(12)10(13-14)11(16)15-6-4-2-3-5-7-15/h8H,2-7H2,1H3
InChIKey LKHTYHDSZKSQLM-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_17881
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/7118919; Labnumber: SER/0043236; UZI_ID: UZI-017888
Temperature 308 °C