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2-Hydroxy-N-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)propanethioamide
SpectraBase Compound ID y7bI7m3ItQ
InChI InChI=1S/C13H17N3OS/c1-13(17,11-14-8-5-9-15-11)12(18)16-10-6-3-2-4-7-10/h2-4,6-7,17H,5,8-9H2,1H3,(H,14,15)(H,16,18)
InChIKey UPIOKBUPRMTTNK-UHFFFAOYSA-N
Mol Weight 263.36 g/mol
Molecular Formula C13H17N3OS
Exact Mass 263.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHGi0iBmRua
Name 2-Hydroxy-N-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)propanethioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3OS
InChI InChI=1S/C13H17N3OS/c1-13(17,11-14-8-5-9-15-11)12(18)16-10-6-3-2-4-7-10/h2-4,6-7,17H,5,8-9H2,1H3,(H,14,15)(H,16,18)
InChIKey UPIOKBUPRMTTNK-UHFFFAOYSA-N
Molecular Weight 263.359 g/mol
SMILES N1CCCN[C+]1C(\C(=N\c1ccccc1)[S-])(O)C
SPLASH splash10-004i-0900000000-9c1630723e338700a08f
Source of Spectrum J-67-4529-3
Synonyms 2-Hydroxy-N-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)thiopropionamide 2-Hydroxy-N-phenyl-2-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)propanimidothioate 2-Hydroxy-N-phenyl-2-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)thiopropionimidate 2-Oxidanyl-N-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)propanethioamide 2-Oxidanyl-N-phenyl-2-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)propanimidothioate
Wiley ID 1570214