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 Google Search
Mol Weight	242.29 g/mol
Molecular Formula	C10H14N2O3S
Exact Mass	242.072513 g/mol

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SpectraBase Spectrum ID	BDuGxChxOQa
Name	Ethyl 3-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]propanoate #
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	242.072513490 u
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	C1=C(N=C(NC1=O)SCCC(OCC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.926971