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

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6-(1-adamantyl)-4-(4-methoxyphenyl)-3,4-dihydro-2(1H)-pyrimidinethione
SpectraBase Compound ID 5eSQ2LRD9UJ
InChI InChI=1S/C21H26N2OS/c1-24-17-4-2-16(3-5-17)18-9-19(23-20(25)22-18)21-10-13-6-14(11-21)8-15(7-13)12-21/h2-5,9,13-15,18H,6-8,10-12H2,1H3,(H2,22,23,25)/t13-,14+,15-,18?,21-
InChIKey TUPASQKQKKXVLR-ATNLMFDYSA-N
Mol Weight 354.51 g/mol
Molecular Formula C21H26N2OS
Exact Mass 354.176585 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DktACEV3M8w
Name 6-(1-adamantyl)-4-(4-methoxyphenyl)-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/C21H26N2OS/c1-24-17-4-2-16(3-5-17)18-9-19(23-20(25)22-18)21-10-13-6-14(11-21)8-15(7-13)12-21/h2-5,9,13-15,18H,6-8,10-12H2,1H3,(H2,22,23,25)/t13-,14+,15-,18?,21-
InChIKey TUPASQKQKKXVLR-ATNLMFDYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8450
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/1269591; Labnumber: DEL0781; UZI_ID: UZI-008452
Temperature 313 °C