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4-{[3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}morpholine
SpectraBase Compound ID 5MEbZv0kXYV
InChI InChI=1S/C17H23N5O4/c23-14(20-1-3-26-4-2-20)16-6-12-5-13(7-16)9-17(8-12,10-16)21-11-18-15(19-21)22(24)25/h11-13H,1-10H2/t12-,13+,16+,17-
InChIKey ROUPIEXNLDISCO-GANFFNEQSA-N
Mol Weight 361.4 g/mol
Molecular Formula C17H23N5O4
Exact Mass 361.175004 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1kghA7M60Gm
Name 4-{[3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}morpholine
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/C17H23N5O4/c23-14(20-1-3-26-4-2-20)16-6-12-5-13(7-16)9-17(8-12,10-16)21-11-18-15(19-21)22(24)25/h11-13H,1-10H2/t12-,13+,16+,17-
InChIKey ROUPIEXNLDISCO-GANFFNEQSA-N
NMR Offset 15.3255
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_514
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/6067361; UBI_ID: UBI-000515
Temperature 318 °C