Systematic / IUPAC Name: Methyl 4-[(2-pyrimidinylsulfanyl)methyl]benzoate
ID: Reference4119
Other Names: Methyl 4-[(pyrimidin-2-ylsulfanyl)methyl]benzoate
Formula: C13H12N2O2S
Methyl 4-[(pyrimidin-2-ylthio)methyl]benzoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 1 |
No. of Spectra | 119 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 3/9/2016 12:46:42 PM |
InChI | InChI=1S/C13H12N2O2S/c1-17-12(16)11-5-3-10(4-6-11)9-18-13-14-7-2-8-15-13/h2-8H,9H2,1H3 |
InChI Key | CFLODTCSGMYDQM-UHFFFAOYSA-N |
Canonical SMILES | COC(=O)C1=CC=C(C=C1)CSC2=NC=CC=N2 |
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Other Names | Methyl 4-[(pyrimidin-2-ylsulfanyl)methyl]benzoate |