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isoxazolo[5,4-b]pyridine, 4-[(hexahydro-1H-azepin-1-yl)carbonyl]-3-methyl-6-(3-nitrophenyl)-
SpectraBase Compound ID DyDtNnHMmU9
InChI InChI=1S/C20H20N4O4/c1-13-18-16(20(25)23-9-4-2-3-5-10-23)12-17(21-19(18)28-22-13)14-7-6-8-15(11-14)24(26)27/h6-8,11-12H,2-5,9-10H2,1H3
InChIKey FAVJMZOLJHIUBM-UHFFFAOYSA-N
Mol Weight 380.4 g/mol
Molecular Formula C20H20N4O4
Exact Mass 380.148455 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ce0vGOvOz2Y
Name isoxazolo[5,4-b]pyridine, 4-[(hexahydro-1H-azepin-1-yl)carbonyl]-3-methyl-6-(3-nitrophenyl)-
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/C20H20N4O4/c1-13-18-16(20(25)23-9-4-2-3-5-10-23)12-17(21-19(18)28-22-13)14-7-6-8-15(11-14)24(26)27/h6-8,11-12H,2-5,9-10H2,1H3
InChIKey FAVJMZOLJHIUBM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23919
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: 2317947; UZI_ID: UZI-023927
Temperature 308 °C