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Benzyl [(pyrimidin-2'-yl)thio]-acetate

View entire compound with spectra: 2 MS (GC)

Benzyl [(pyrimidin-2'-yl)thio]-acetate
SpectraBase Compound ID GN56PCLuZ9F
InChI InChI=1S/C13H12N2O2S/c16-12(10-18-13-14-7-4-8-15-13)17-9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKey GIHKKKLCDWKDAQ-UHFFFAOYSA-N
Mol Weight 260.31 g/mol
Molecular Formula C13H12N2O2S
Exact Mass 260.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImfzMzphjC9
Name Benzyl [(pyrimidin-2'-yl)thio]-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O2S
InChI InChI=1S/C13H12N2O2S/c16-12(10-18-13-14-7-4-8-15-13)17-9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKey GIHKKKLCDWKDAQ-UHFFFAOYSA-N
Molecular Weight 260.311 g/mol
SMILES c1(ncccn1)SCC(=O)OCc1ccccc1
SPLASH splash10-002f-8900000000-edbd150ade62f72b7f4d
Source of Spectrum H-85-4296-11
Synonyms benzyl (2-pyrimidinylsulfanyl)acetate
Wiley ID 1524958