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N-(3-nitrophenyl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID JJFdbvwmUe4
InChI InChI=1S/C19H20N6O5/c26-16(21-14-2-1-3-15(5-14)24(27)28)18-6-12-4-13(7-18)9-19(8-12,10-18)23-11-20-17(22-23)25(29)30/h1-3,5,11-13H,4,6-10H2,(H,21,26)/t12-,13+,18+,19-
InChIKey GEISVKREEAULSR-FUOYASODSA-N
Mol Weight 412.41 g/mol
Molecular Formula C19H20N6O5
Exact Mass 412.149518 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1Z5Gjz99DFW
Name N-(3-nitrophenyl)-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/C19H20N6O5/c26-16(21-14-2-1-3-15(5-14)24(27)28)18-6-12-4-13(7-18)9-19(8-12,10-18)23-11-20-17(22-23)25(29)30/h1-3,5,11-13H,4,6-10H2,(H,21,26)/t12-,13+,18+,19-
InChIKey GEISVKREEAULSR-FUOYASODSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19192
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/9137288; UBI_ID: UBI-019195
Temperature 308 °C