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N-(5-methyl-3-isoxazolyl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID 4qJNo6V9lEt
InChI InChI=1S/C17H20N6O4/c1-10-2-13(21-27-10)19-14(24)16-4-11-3-12(5-16)7-17(6-11,8-16)22-9-18-15(20-22)23(25)26/h2,9,11-12H,3-8H2,1H3,(H,19,21,24)/t11-,12+,16+,17-
InChIKey CRLOBXFVWHKQLJ-PRRDBKRISA-N
Mol Weight 372.39 g/mol
Molecular Formula C17H20N6O4
Exact Mass 372.154603 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7E11gmExW9h
Name N-(5-methyl-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/C17H20N6O4/c1-10-2-13(21-27-10)19-14(24)16-4-11-3-12(5-16)7-17(6-11,8-16)22-9-18-15(20-22)23(25)26/h2,9,11-12H,3-8H2,1H3,(H,19,21,24)/t11-,12+,16+,17-
InChIKey CRLOBXFVWHKQLJ-PRRDBKRISA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18871
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/9130690; UBI_ID: UBI-018874
Temperature 308 °C