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

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6-(1-adamantyl)-4-(4-bromophenyl)-3,4-dihydro-2(1H)-pyrimidinethione
SpectraBase Compound ID AbClxaLDDbN
InChI InChI=1S/C20H23BrN2S/c21-16-3-1-15(2-4-16)17-8-18(23-19(24)22-17)20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,8,12-14,17H,5-7,9-11H2,(H2,22,23,24)/t12-,13+,14-,17?,20-
InChIKey DUEQTGZEMRCPSH-MCZSEPPXSA-N
Mol Weight 403.38 g/mol
Molecular Formula C20H23BrN2S
Exact Mass 402.076533 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EgxauxSCbPz
Name 6-(1-adamantyl)-4-(4-bromophenyl)-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/C20H23BrN2S/c21-16-3-1-15(2-4-16)17-8-18(23-19(24)22-17)20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,8,12-14,17H,5-7,9-11H2,(H2,22,23,24)/t12-,13+,14-,17?,20-
InChIKey DUEQTGZEMRCPSH-MCZSEPPXSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8443
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/1267874; Labnumber: DEL0754; UZI_ID: UZI-008445
Temperature 308 °C