Methyl 4-[(pyrimidin-2-ylthio)methyl]benzoate

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Systematic / IUPAC Name: Methyl 4-[(2-pyrimidinylsulfanyl)methyl]benzoate

ID: Reference4119

Other Names: Methyl 4-[(pyrimidin-2-ylsulfanyl)methyl]benzoate

Formula: C13H12N2O2S

Spectral Data

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.

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Available MS Data

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
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Identificators

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
CAS
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Other Names Methyl 4-[(pyrimidin-2-ylsulfanyl)methyl]benzoate

In Other Databases

PubChem 715507
ChemSpider 624324