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1-adamantyl[3-amino-6-(4-pyridinyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
SpectraBase Compound ID 3QbPjF7yPs1
InChI InChI=1S/C24H22F3N3OS/c25-24(26,27)16-8-17(15-1-3-29-4-2-15)30-22-18(16)19(28)20(32-22)21(31)23-9-12-5-13(10-23)7-14(6-12)11-23/h1-4,8,12-14H,5-7,9-11,28H2/t12-,13+,14-,23-
InChIKey RTGKXNLIXHUOEK-CAUGRDAOSA-N
Mol Weight 457.52 g/mol
Molecular Formula C24H22F3N3OS
Exact Mass 457.143568 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FLsslRgNxs8
Name 1-adamantyl[3-amino-6-(4-pyridinyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
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/C24H22F3N3OS/c25-24(26,27)16-8-17(15-1-3-29-4-2-15)30-22-18(16)19(28)20(32-22)21(31)23-9-12-5-13(10-23)7-14(6-12)11-23/h1-4,8,12-14H,5-7,9-11,28H2/t12-,13+,14-,23-
InChIKey RTGKXNLIXHUOEK-CAUGRDAOSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9757
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: D60482; Labnumber: SHES3-0154; SBI_ID: SBI-009760
Temperature 308 °C