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1-{4-[3-bromo-4-(cyclopentyloxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl}ethanone
SpectraBase Compound ID HvBXyzhYOHn
InChI InChI=1S/C19H23BrN2O3S/c1-10-16(11(2)23)17(22-19(26)21-10)12-8-14(20)18(15(9-12)24-3)25-13-6-4-5-7-13/h8-9,13,17H,4-7H2,1-3H3,(H2,21,22,26)
InChIKey BFYRFRWEDXJKFR-UHFFFAOYSA-N
Mol Weight 439.37 g/mol
Molecular Formula C19H23BrN2O3S
Exact Mass 438.061277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2k7Y9NnaSZ9
Name 1-{4-[3-bromo-4-(cyclopentyloxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl}ethanone
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/C19H23BrN2O3S/c1-10-16(11(2)23)17(22-19(26)21-10)12-8-14(20)18(15(9-12)24-3)25-13-6-4-5-7-13/h8-9,13,17H,4-7H2,1-3H3,(H2,21,22,26)
InChIKey BFYRFRWEDXJKFR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31736
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: 1843278; SBI_ID: SBI-031740
Temperature 308 °C