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Methyl 1-(3-Methylphenyl)-1H-1,2,4-triazole-3-carboxylate
SpectraBase Compound ID 2oxtIPfftNr
InChI InChI=1S/C11H11N3O2/c1-8-4-3-5-9(6-8)14-7-12-10(13-14)11(15)16-2/h3-7H,1-2H3
InChIKey KCSQSWXMFJRXFJ-UHFFFAOYSA-N
Mol Weight 217.23 g/mol
Molecular Formula C11H11N3O2
Exact Mass 217.085127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4K5YE8PNFA
Name Methyl 1-(3-Methylphenyl)-1H-1,2,4-triazole-3-carboxylate
Appearance Yellow solid
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Formula C11H11N3O2
InChI InChI=1S/C11H11N3O2/c1-8-4-3-5-9(6-8)14-7-12-10(13-14)11(15)16-2/h3-7H,1-2H3
InChIKey KCSQSWXMFJRXFJ-UHFFFAOYSA-N
Instrument Name JEOL JMS-HX110
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801808
Molecular Weight 217.228 g/mol
Reported Formula C11H11N3O2
SMILES COC(=O)c1n[n](cn1)-c1cccc(c1)C
SPLASH splash10-0670-0930000000-84425a96052bd2805f32
Source of Spectrum U1-2019-1759-2j
Wiley ID 1846113