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Uracil, 3-(2-mercaptoethyl)-5-phenyl-
SpectraBase Compound ID LUfEzPccXi5
InChI InChI=1S/C12H12N2O2S/c15-11-10(9-4-2-1-3-5-9)8-13-12(16)14(11)6-7-17/h1-5,8,17H,6-7H2,(H,13,16)
InChIKey MEKGSNDOQQKEHK-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 Goq6veyTO0b
Name Uracil, 3-(2-mercaptoethyl)-5-phenyl-
CAS Registry Number 29558-47-2
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)8-13-12(16)14(11)6-7-17/h1-5,8,17H,6-7H2,(H,13,16)
InChIKey MEKGSNDOQQKEHK-UHFFFAOYSA-N
Molecular Weight 248.300 g/mol
SMILES N1C(N(CCS)C(C(=C1)c1ccccc1)=O)=O
SPLASH splash10-000i-2900000000-41e698f5799958fe2dde
Source of Spectrum S-24-1424-1
Synonyms 5-Phenyl-3-(2-sulfanylethyl)-2,4(1H,3H)-pyrimidinedione 3-(2-mercaptoethyl)-5-phenyl-1H-pyrimidine-2,4-dione 3-(2-mercaptoethyl)-5-phenyl-uracil 5-Phenyl-3-(2-sulfanylethyl)-1H-pyrimidine-2,4-dione
Wiley ID 1250729