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

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N-(2-methoxy-5-methylphenyl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID ANBPTtRrkZS
InChI InChI=1S/C21H25N5O4/c1-13-3-4-17(30-2)16(5-13)23-18(27)20-7-14-6-15(8-20)10-21(9-14,11-20)25-12-22-19(24-25)26(28)29/h3-5,12,14-15H,6-11H2,1-2H3,(H,23,27)/t14-,15+,20+,21-
InChIKey WVWMMHDSSLGIRX-ZFJWPNLUSA-N
Mol Weight 411.46 g/mol
Molecular Formula C21H25N5O4
Exact Mass 411.190654 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B2ixVIUhSnj
Name N-(2-methoxy-5-methylphenyl)-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/C21H25N5O4/c1-13-3-4-17(30-2)16(5-13)23-18(27)20-7-14-6-15(8-20)10-21(9-14,11-20)25-12-22-19(24-25)26(28)29/h3-5,12,14-15H,6-11H2,1-2H3,(H,23,27)/t14-,15+,20+,21-
InChIKey WVWMMHDSSLGIRX-ZFJWPNLUSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_3311
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/9151381; Labnumber: BAC_UAMK/007054; UZI_ID: UZI-003313
Temperature 306 °C