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5-Butyl-2-((2-chloro-6-fluorobenzyl)sulfanyl)-6-methyl-4-pyrimidinol

View entire compound with spectra: 1 NMR

5-Butyl-2-((2-chloro-6-fluorobenzyl)sulfanyl)-6-methyl-4-pyrimidinol
SpectraBase Compound ID 1ro6PmcObrj
InChI InChI=1S/C16H18ClFN2OS/c1-3-4-6-11-10(2)19-16(20-15(11)21)22-9-12-13(17)7-5-8-14(12)18/h5,7-8H,3-4,6,9H2,1-2H3,(H,19,20,21)
InChIKey LBQCJWOAYNMZDJ-UHFFFAOYSA-N
Mol Weight 340.84 g/mol
Molecular Formula C16H18ClFN2OS
Exact Mass 340.08124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1INDHSBwL1E
Name 5-Butyl-2-((2-chloro-6-fluorobenzyl)sulfanyl)-6-methyl-4-pyrimidinol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.081240244 u
Formula C16H18ClFN2OS
InChI InChI=1S/C16H18ClFN2OS/c1-3-4-6-11-10(2)19-16(20-15(11)21)22-9-12-13(17)7-5-8-14(12)18/h5,7-8H,3-4,6,9H2,1-2H3,(H,19,20,21)
InChIKey LBQCJWOAYNMZDJ-UHFFFAOYSA-N
Molecular Weight 340.844 g/mol
SMILES C1(=NC(=NC(=C1CCCC)C)SCC1=C(F)C=CC=C1Cl)O