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6-(1-adamantyl)-4-methyl-2-[(2-oxopropyl)sulfanyl]nicotinonitrile
SpectraBase Compound ID De9DD6cikXN
InChI InChI=1S/C20H24N2OS/c1-12-3-18(22-19(17(12)10-21)24-11-13(2)23)20-7-14-4-15(8-20)6-16(5-14)9-20/h3,14-16H,4-9,11H2,1-2H3/t14-,15+,16-,20-
InChIKey ACDAIOMIYURTPW-BMWJPVITSA-N
Mol Weight 340.49 g/mol
Molecular Formula C20H24N2OS
Exact Mass 340.160935 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6GPM9ZWA1Vi
Name 6-(1-adamantyl)-4-methyl-2-[(2-oxopropyl)sulfanyl]nicotinonitrile
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/C20H24N2OS/c1-12-3-18(22-19(17(12)10-21)24-11-13(2)23)20-7-14-4-15(8-20)6-16(5-14)9-20/h3,14-16H,4-9,11H2,1-2H3/t14-,15+,16-,20-
InChIKey ACDAIOMIYURTPW-BMWJPVITSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15940
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/8054466; UBI_ID: UBI-015943
Temperature 308 °C