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2-{[6-(1-adamantyl)-3-cyano-2-pyridinyl]sulfanyl}-N-(1,3-benzothiazol-2-yl)acetamide
SpectraBase Compound ID 4PEqnwJlCef
InChI InChI=1S/C25H24N4OS2/c26-13-18-5-6-21(25-10-15-7-16(11-25)9-17(8-15)12-25)28-23(18)31-14-22(30)29-24-27-19-3-1-2-4-20(19)32-24/h1-6,15-17H,7-12,14H2,(H,27,29,30)/t15-,16+,17-,25-
InChIKey FQLHKSDBAIXWFG-CIRRPZLZSA-N
Mol Weight 460.61 g/mol
Molecular Formula C25H24N4OS2
Exact Mass 460.139154 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IzSpCm9K2Vo
Name 2-{[6-(1-adamantyl)-3-cyano-2-pyridinyl]sulfanyl}-N-(1,3-benzothiazol-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/C25H24N4OS2/c26-13-18-5-6-21(25-10-15-7-16(11-25)9-17(8-15)12-25)28-23(18)31-14-22(30)29-24-27-19-3-1-2-4-20(19)32-24/h1-6,15-17H,7-12,14H2,(H,27,29,30)/t15-,16+,17-,25-
InChIKey FQLHKSDBAIXWFG-CIRRPZLZSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16545
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/8137966; UBI_ID: UBI-016548
Temperature 313 °C