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N-(6-methyl-1,3-benzothiazol-2-yl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide

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N-(6-methyl-1,3-benzothiazol-2-yl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID 71SckOsN15B
InChI InChI=1S/C21H22N6O3S/c1-12-2-3-15-16(4-12)31-19(23-15)24-17(28)20-6-13-5-14(7-20)9-21(8-13,10-20)26-11-22-18(25-26)27(29)30/h2-4,11,13-14H,5-10H2,1H3,(H,23,24,28)/t13-,14+,20+,21-
InChIKey PGQBAXISTLVJQF-HVEVLSQBSA-N
Mol Weight 438.51 g/mol
Molecular Formula C21H22N6O3S
Exact Mass 438.14741 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GJJ3E2ZSFuX
Name N-(6-methyl-1,3-benzothiazol-2-yl)-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/C21H22N6O3S/c1-12-2-3-15-16(4-12)31-19(23-15)24-17(28)20-6-13-5-14(7-20)9-21(8-13,10-20)26-11-22-18(25-26)27(29)30/h2-4,11,13-14H,5-10H2,1H3,(H,23,24,28)/t13-,14+,20+,21-
InChIKey PGQBAXISTLVJQF-HVEVLSQBSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20062
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/9157227; UBI_ID: UBI-020066
Temperature 308 °C