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

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N-(5-methyl-1,3-thiazol-2-yl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID GzoQKb6jITI
InChI InChI=1S/C17H20N6O3S/c1-10-7-18-15(27-10)20-13(24)16-3-11-2-12(4-16)6-17(5-11,8-16)22-9-19-14(21-22)23(25)26/h7,9,11-12H,2-6,8H2,1H3,(H,18,20,24)/t11-,12+,16+,17-
InChIKey XGAIIOKCWRJSOK-PRRDBKRISA-N
Mol Weight 388.45 g/mol
Molecular Formula C17H20N6O3S
Exact Mass 388.13176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8EHMKRWeZS1
Name N-(5-methyl-1,3-thiazol-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/C17H20N6O3S/c1-10-7-18-15(27-10)20-13(24)16-3-11-2-12(4-16)6-17(5-11,8-16)22-9-19-14(21-22)23(25)26/h7,9,11-12H,2-6,8H2,1H3,(H,18,20,24)/t11-,12+,16+,17-
InChIKey XGAIIOKCWRJSOK-PRRDBKRISA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19656
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/9147089; UBI_ID: UBI-019660
Temperature 308 °C