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Methyl 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate
SpectraBase Compound ID 1PvXfp6tgRx
InChI InChI=1S/C8H11N3O3S/c1-4(7(13)14-2)15-8-10-5(9)3-6(12)11-8/h3-4H,1-2H3,(H3,9,10,11,12)
InChIKey ZLZKBYLHECMSDQ-UHFFFAOYSA-N
Mol Weight 229.25 g/mol
Molecular Formula C8H11N3O3S
Exact Mass 229.052112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sn3KRMHhZM
Name Methyl 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate
Alternate Name(s) Methyl 2-((4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)thio)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11N3O3S
InChI InChI=1S/C8H11N3O3S/c1-4(7(13)14-2)15-8-10-5(9)3-6(12)11-8/h3-4H,1-2H3,(H3,9,10,11,12)
InChIKey ZLZKBYLHECMSDQ-UHFFFAOYSA-N
Molecular Weight 229.254 g/mol
SMILES NC=1N=C(SC(C(=O)OC)C)NC(C1)=O
SPLASH splash10-02ft-1900000000-5ea1bbbe35ff224b62ce
Source of Spectrum RCM-17-1919-6
Wiley ID 1819904