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Ethyl 3-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]propanoate
SpectraBase Compound ID LIpZCgriVFJ
InChI InChI=1S/C10H14N2O3S/c1-3-15-9(14)4-5-16-10-11-7(2)6-8(13)12-10/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKey XGFBDGRYJSYMSF-UHFFFAOYSA-N
Mol Weight 242.29 g/mol
Molecular Formula C10H14N2O3S
Exact Mass 242.072513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkfjInDrfgd
Name Ethyl 3-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]propanoate
Alternate Name(s) 3-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]propionic acid ethyl ester 3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]propanoic acid ethyl ester Ethyl 3-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoate Ethyl 3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate
CAS Registry Number 79361-48-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14N2O3S
InChI InChI=1S/C10H14N2O3S/c1-3-15-9(14)4-5-16-10-11-7(2)6-8(13)12-10/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKey XGFBDGRYJSYMSF-UHFFFAOYSA-N
Molecular Weight 242.293 g/mol
SMILES N1C(=NC(C=C1C)=O)SCCC(=O)OCC
SPLASH splash10-014i-3900000000-5223a0933d043aabbb39
Source of Spectrum 0-16-223-12
Wiley ID 1244588