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1-[(1-ethyl-4-nitro-1H-pyrazol-3-yl)carbonyl]hexahydro-1H-azepine
SpectraBase Compound ID AVAWuo4MoLb
InChI InChI=1S/C12H18N4O3/c1-2-15-9-10(16(18)19)11(13-15)12(17)14-7-5-3-4-6-8-14/h9H,2-8H2,1H3
InChIKey JFKFRTBHXPYXHA-UHFFFAOYSA-N
Mol Weight 266.3 g/mol
Molecular Formula C12H18N4O3
Exact Mass 266.13789 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ea85LTH9iWD
Name 1-[(1-ethyl-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/C12H18N4O3/c1-2-15-9-10(16(18)19)11(13-15)12(17)14-7-5-3-4-6-8-14/h9H,2-8H2,1H3
InChIKey JFKFRTBHXPYXHA-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20247
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/9160541; UBI_ID: UBI-020251
Temperature 308 °C