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N-(3,5-dimethoxyphenyl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide

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N-(3,5-dimethoxyphenyl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID BCSwJVe21E8
InChI InChI=1S/C21H25N5O5/c1-30-16-4-15(5-17(6-16)31-2)23-18(27)20-7-13-3-14(8-20)10-21(9-13,11-20)25-12-22-19(24-25)26(28)29/h4-6,12-14H,3,7-11H2,1-2H3,(H,23,27)/t13-,14+,20+,21-
InChIKey RMPGZGWQIXKLNC-HVEVLSQBSA-N
Mol Weight 427.46 g/mol
Molecular Formula C21H25N5O5
Exact Mass 427.185569 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CFVmkMaVDDR
Name N-(3,5-dimethoxyphenyl)-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/C21H25N5O5/c1-30-16-4-15(5-17(6-16)31-2)23-18(27)20-7-13-3-14(8-20)10-21(9-13,11-20)25-12-22-19(24-25)26(28)29/h4-6,12-14H,3,7-11H2,1-2H3,(H,23,27)/t13-,14+,20+,21-
InChIKey RMPGZGWQIXKLNC-HVEVLSQBSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20256
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/9160712; UBI_ID: UBI-020260
Temperature 308 °C