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5-(4-Methyl-2-methylsulfanyl-pyrimidin-5-yl)penta-2,4-diynyl propanoate
SpectraBase Compound ID 7zJ6ww5TG3k
InChI InChI=1S/C14H14N2O2S/c1-4-13(17)18-9-7-5-6-8-12-10-15-14(19-3)16-11(12)2/h10H,4,9H2,1-3H3
InChIKey YOCVLIKHIFZAKX-UHFFFAOYSA-N
Mol Weight 274.34 g/mol
Molecular Formula C14H14N2O2S
Exact Mass 274.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FuBUAMOZyQG
Name 5-(4-Methyl-2-methylsulfanyl-pyrimidin-5-yl)penta-2,4-diynyl propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2O2S
InChI InChI=1S/C14H14N2O2S/c1-4-13(17)18-9-7-5-6-8-12-10-15-14(19-3)16-11(12)2/h10H,4,9H2,1-3H3
InChIKey YOCVLIKHIFZAKX-UHFFFAOYSA-N
Molecular Weight 274.338 g/mol
SMILES c1(nc(c(cn1)C#CC#CCOC(=O)CC)C)SC
SPLASH splash10-0ay0-9050000000-8ff39c62876a7340a023
Source of Spectrum KC-0-1459-7
Synonyms Propanoic acid 5-[4-methyl-2-(methylthio)-5-pyrimidinyl]penta-2,4-diynyl ester Propionic acid 5-[4-methyl-2-(methylthio)pyrimidin-5-yl]penta-2,4-diynyl ester
Wiley ID 830990