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Ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate
SpectraBase Compound ID Bz4rqE0PJSU
InChI InChI=1S/C9H13N3O3S/c1-3-15-8(14)5(2)16-9-11-6(10)4-7(13)12-9/h4-5H,3H2,1-2H3,(H3,10,11,12,13)
InChIKey ROQUDPLWBHYPSC-UHFFFAOYSA-N
Mol Weight 243.28 g/mol
Molecular Formula C9H13N3O3S
Exact Mass 243.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5F00fmjvJbq
Name Ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate
Alternate Name(s) Ethyl 2-((4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)thio)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13N3O3S
InChI InChI=1S/C9H13N3O3S/c1-3-15-8(14)5(2)16-9-11-6(10)4-7(13)12-9/h4-5H,3H2,1-2H3,(H3,10,11,12,13)
InChIKey ROQUDPLWBHYPSC-UHFFFAOYSA-N
Molecular Weight 243.281 g/mol
SMILES NC=1N=C(SC(C(=O)OCC)C)NC(C1)=O
SPLASH splash10-024i-1910000000-935d8335dcad578a0af9
Source of Spectrum RCM-17-1919-7
Wiley ID 1819905