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N-(3-isoxazolyl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide

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N-(3-isoxazolyl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID IMIEpIIbZQT
InChI InChI=1S/C16H18N6O4/c23-13(18-12-1-2-26-20-12)15-4-10-3-11(5-15)7-16(6-10,8-15)21-9-17-14(19-21)22(24)25/h1-2,9-11H,3-8H2,(H,18,20,23)/t10-,11+,15+,16-
InChIKey QABQQUNIBCFPIE-NUMJRFHMSA-N
Mol Weight 358.36 g/mol
Molecular Formula C16H18N6O4
Exact Mass 358.138953 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4AkFFf9quTi
Name N-(3-isoxazolyl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
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/C16H18N6O4/c23-13(18-12-1-2-26-20-12)15-4-10-3-11(5-15)7-16(6-10,8-15)21-9-17-14(19-21)22(24)25/h1-2,9-11H,3-8H2,(H,18,20,23)/t10-,11+,15+,16-
InChIKey QABQQUNIBCFPIE-NUMJRFHMSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19869
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/9152490; UBI_ID: UBI-019873
Temperature 313 °C