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5-Butyl-pyrimidine-2-thiol

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5-Butyl-pyrimidine-2-thiol
SpectraBase Compound ID 4ggqS4QZjJ6
InChI InChI=1S/C8H12N2S/c1-2-3-4-7-5-9-8(11)10-6-7/h5-6H,2-4H2,1H3,(H,9,10,11)
InChIKey TZGHADJZPGPGBG-UHFFFAOYSA-N
Mol Weight 168.26 g/mol
Molecular Formula C8H12N2S
Exact Mass 168.07212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JfgQOjtYm8c
Name 5-Butyl-pyrimidine-2-thiol
CAS Registry Number 52767-86-9
Comments EQUILIBRIUM OF THIOL-THION-FORM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H12N2S
InChI InChI=1S/C8H12N2S/c1-2-3-4-7-5-9-8(11)10-6-7/h5-6H,2-4H2,1H3,(H,9,10,11)
InChIKey TZGHADJZPGPGBG-UHFFFAOYSA-N
Literature Reference R. Kruse, E. Breitmaier, Chemiker-Zeitung 101, 305 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6