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Uracil, 1-(2-mercaptoethyl)-5-phenyl-
SpectraBase Compound ID LuVP9OQ8lWw
InChI InChI=1S/C12H12N2O2S/c15-11-10(9-4-2-1-3-5-9)8-14(6-7-17)12(16)13-11/h1-5,8,17H,6-7H2,(H,13,15,16)
InChIKey NKXKZCMDJBYYFJ-UHFFFAOYSA-N
Mol Weight 248.3 g/mol
Molecular Formula C12H12N2O2S
Exact Mass 248.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tewhHMmWVh
Name Uracil, 1-(2-mercaptoethyl)-5-phenyl-
CAS Registry Number 29558-48-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O2S
InChI InChI=1S/C12H12N2O2S/c15-11-10(9-4-2-1-3-5-9)8-14(6-7-17)12(16)13-11/h1-5,8,17H,6-7H2,(H,13,15,16)
InChIKey NKXKZCMDJBYYFJ-UHFFFAOYSA-N
Molecular Weight 248.300 g/mol
SMILES SCCN1C=C(C(NC1=O)=O)c1ccccc1
SPLASH splash10-000b-3920000000-e1bdf45269b4b4fa9fcf
Source of Spectrum S-24-1425-2
Synonyms 5-Phenyl-1-(2-sulfanylethyl)-2,4(1H,3H)-pyrimidinedione 1-(2-mercaptoethyl)-5-phenyl-pyrimidine-2,4-quinone 1-(2-mercaptoethyl)-5-phenylpyrimidine-2,4-dione 5-Phenyl-1-(2-sulfanylethyl)pyrimidine-2,4-dione
Wiley ID 1250731