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2-{[6-(1-adamantyl)-3-cyano-2-pyridinyl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SpectraBase Compound ID 3BWF5GPnSNL
InChI InChI=1S/C22H24N4OS2/c1-13-11-29-21(24-13)26-19(27)12-28-20-17(10-23)2-3-18(25-20)22-7-14-4-15(8-22)6-16(5-14)9-22/h2-3,11,14-16H,4-9,12H2,1H3,(H,24,26,27)/t14-,15+,16-,22-
InChIKey LGXHMRDNCGRFDQ-OFWUGVANSA-N
Mol Weight 424.58 g/mol
Molecular Formula C22H24N4OS2
Exact Mass 424.139154 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DUNuLQltThG
Name 2-{[6-(1-adamantyl)-3-cyano-2-pyridinyl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)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/C22H24N4OS2/c1-13-11-29-21(24-13)26-19(27)12-28-20-17(10-23)2-3-18(25-20)22-7-14-4-15(8-22)6-16(5-14)9-22/h2-3,11,14-16H,4-9,12H2,1H3,(H,24,26,27)/t14-,15+,16-,22-
InChIKey LGXHMRDNCGRFDQ-OFWUGVANSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16624
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/8149482; UBI_ID: UBI-016627
Temperature 308 °C