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6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-2(1H)-pyrimidinethione

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6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-2(1H)-pyrimidinethione
SpectraBase Compound ID ET66rFJYO0x
InChI InChI=1S/C21H26N2S/c1-13-2-4-17(5-3-13)18-9-19(23-20(24)22-18)21-10-14-6-15(11-21)8-16(7-14)12-21/h2-5,9,14-16,18H,6-8,10-12H2,1H3,(H2,22,23,24)/t14-,15+,16-,18?,21-
InChIKey APOWLLQBHHRLRK-FWDJZOASSA-N
Mol Weight 338.51 g/mol
Molecular Formula C21H26N2S
Exact Mass 338.18167 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IQXVuFVvcbd
Name 6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-2(1H)-pyrimidinethione
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/C21H26N2S/c1-13-2-4-17(5-3-13)18-9-19(23-20(24)22-18)21-10-14-6-15(11-21)8-16(7-14)12-21/h2-5,9,14-16,18H,6-8,10-12H2,1H3,(H2,22,23,24)/t14-,15+,16-,18?,21-
InChIKey APOWLLQBHHRLRK-FWDJZOASSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8444
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/1268365; Labnumber: DEL0768; UZI_ID: UZI-008446
Temperature 313 °C