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1-(6-hexahydro-1H-azepin-1-yl-5-nitro-4-pyrimidinyl)hexahydro-1H-azepine

View entire compound with spectra: 1 NMR

1-(6-hexahydro-1H-azepin-1-yl-5-nitro-4-pyrimidinyl)hexahydro-1H-azepine
SpectraBase Compound ID AHtqSkRqjJw
InChI InChI=1S/C16H25N5O2/c22-21(23)14-15(19-9-5-1-2-6-10-19)17-13-18-16(14)20-11-7-3-4-8-12-20/h13H,1-12H2
InChIKey KICGIAGPFMRWOE-UHFFFAOYSA-N
Mol Weight 319.41 g/mol
Molecular Formula C16H25N5O2
Exact Mass 319.200825 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HBi9kbbtFNb
Name 1-(6-hexahydro-1H-azepin-1-yl-5-nitro-4-pyrimidinyl)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/C16H25N5O2/c22-21(23)14-15(19-9-5-1-2-6-10-19)17-13-18-16(14)20-11-7-3-4-8-12-20/h13H,1-12H2
InChIKey KICGIAGPFMRWOE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10776
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: 134600; Labnumber: GRAN12-145; VK_ID: VK-010780
Temperature 318 °C