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1-[(1-methyl-4-nitro-1H-pyrazol-3-yl)carbonyl]hexahydro-1H-azepine
SpectraBase Compound ID J9AH2JUHtkb
InChI InChI=1S/C11H16N4O3/c1-13-8-9(15(17)18)10(12-13)11(16)14-6-4-2-3-5-7-14/h8H,2-7H2,1H3
InChIKey ATMWCCQRPLUHGK-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C11H16N4O3
Exact Mass 252.12224 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GJ9ApZbqVMe
Name 1-[(1-methyl-4-nitro-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/C11H16N4O3/c1-13-8-9(15(17)18)10(12-13)11(16)14-6-4-2-3-5-7-14/h8H,2-7H2,1H3
InChIKey ATMWCCQRPLUHGK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_17897
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/8023818; Labnumber: SER/0043913; UZI_ID: UZI-017904
Temperature 318 °C