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2-{[2-(2-isopropyl-4-methylphenoxy)ethyl]sulfanyl}-6-methyl-4(1H)-pyrimidinone
SpectraBase Compound ID 5EX62HxWJ9T
InChI InChI=1S/C17H22N2O2S/c1-11(2)14-9-12(3)5-6-15(14)21-7-8-22-17-18-13(4)10-16(20)19-17/h5-6,9-11H,7-8H2,1-4H3,(H,18,19,20)
InChIKey DGVTVSODEHCRDV-UHFFFAOYSA-N
Mol Weight 318.44 g/mol
Molecular Formula C17H22N2O2S
Exact Mass 318.140199 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7tAEnDpb4zo
Name 2-{[2-(2-isopropyl-4-methylphenoxy)ethyl]sulfanyl}-6-methyl-4(1H)-pyrimidinone
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/C17H22N2O2S/c1-11(2)14-9-12(3)5-6-15(14)21-7-8-22-17-18-13(4)10-16(20)19-17/h5-6,9-11H,7-8H2,1-4H3,(H,18,19,20)
InChIKey DGVTVSODEHCRDV-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_1221
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: ZI/9024756; Labnumber: LD-6a00120
Temperature 297 °C