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methyl 2-(2H-benzo[d][1,2,3]triazol-2-yl)-2-(thiophen-2-yl)acetate
SpectraBase Compound ID V8GrgR4vLR
InChI InChI=1S/C13H11N3O2S/c1-18-13(17)12(11-7-4-8-19-11)16-14-9-5-2-3-6-10(9)15-16/h2-8,12H,1H3
InChIKey DZGFXSPIMPTDQI-UHFFFAOYSA-N
Mol Weight 273.31 g/mol
Molecular Formula C13H11N3O2S
Exact Mass 273.057198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4yGJ4PNU5n
Name methyl 2-(2H-benzo[d][1,2,3]triazol-2-yl)-2-(thiophen-2-yl)acetate
Appearance White solid
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Exact Mass 273.057197778 u
Formula C13H11N3O2S
InChI InChI=1S/C13H11N3O2S/c1-18-13(17)12(11-7-4-8-19-11)16-14-9-5-2-3-6-10(9)15-16/h2-8,12H,1H3
InChIKey DZGFXSPIMPTDQI-UHFFFAOYSA-N
Instrument Name Agilent 7890B-5977B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201807039
Quality 827
Reported Formula C13H11N3O2S
SMILES COC(C(C=1SC=CC1)N1N=C2C(=N1)C=CC=C2)=O
SPLASH splash10-0400-3980000000-b72f2cfa588f0c672f3e
Source of Spectrum ACI-57-SM157-3f (DOI: 10.1002/anie.201807039)
Wiley ID 1896818