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Acetic acid, 2-[(1,6-dihydro-4-hydroxy-6-oxo-5-propyl-2-pyrimidinyl)thio]-
SpectraBase Compound ID G6Fsz6imAnR
InChI InChI=1S/C9H12N2O4S/c1-2-3-5-7(14)10-9(11-8(5)15)16-4-6(12)13/h2-4H2,1H3,(H,12,13)(H2,10,11,14,15)
InChIKey KBUQJVWITUTFKU-UHFFFAOYSA-N
Mol Weight 244.26 g/mol
Molecular Formula C9H12N2O4S
Exact Mass 244.051778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZQdnGz0s6a
Name Acetic acid, 2-[(1,6-dihydro-4-hydroxy-6-oxo-5-propyl-2-pyrimidinyl)thio]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2O4S
InChI InChI=1S/C9H12N2O4S/c1-2-3-5-7(14)10-9(11-8(5)15)16-4-6(12)13/h2-4H2,1H3,(H,12,13)(H2,10,11,14,15)
InChIKey KBUQJVWITUTFKU-UHFFFAOYSA-N
Molecular Weight 244.265 g/mol
SMILES N1C(C(=C(N=C1SCC(=O)O)O)CCC)=O
SPLASH splash10-0g02-8920000000-4745fec0403a61f5f325
Source of Spectrum IY-1-4575-1
Synonyms 2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)thio]acetic acid 2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]acetic acid 2-[(4-oxidanyl-6-oxidanylidene-5-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoic acid
Wiley ID 1653734