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N-(1-adamantyl)-2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID Ieyx6MhZh8R
InChI InChI=1S/C21H27N5OS/c1-26-19(16-2-4-17(22)5-3-16)24-25-20(26)28-12-18(27)23-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,13-15H,6-12,22H2,1H3,(H,23,27)
InChIKey CYKGKEDNUDNGFO-UHFFFAOYSA-N
Mol Weight 397.54 g/mol
Molecular Formula C21H27N5OS
Exact Mass 397.193632 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1bQPSskCuIS
Name N-(1-adamantyl)-2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
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/C21H27N5OS/c1-26-19(16-2-4-17(22)5-3-16)24-25-20(26)28-12-18(27)23-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,13-15H,6-12,22H2,1H3,(H,23,27)
InChIKey CYKGKEDNUDNGFO-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7250
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: D28910; Labnumber: SPKOL-4454; SBI_ID: SBI-007253
Temperature 306 °C