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(1-(Quinoxalin-2-yl)-1H-1,2,3-triazol-4-yl)methyl acetate
SpectraBase Compound ID K83Dpcffwof
InChI InChI=1S/C13H11N5O2/c1-9(19)20-8-10-7-18(17-16-10)13-6-14-11-4-2-3-5-12(11)15-13/h2-7H,8H2,1H3
InChIKey DGJCBVVQEVQILV-UHFFFAOYSA-N
Mol Weight 269.26 g/mol
Molecular Formula C13H11N5O2
Exact Mass 269.091275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3NsW3XziHF
Name (1-(Quinoxalin-2-yl)-1H-1,2,3-triazol-4-yl)methyl acetate
Appearance White solid
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Exact Mass 269.091274612 u
Formula C13H11N5O2
InChI InChI=1S/C13H11N5O2/c1-9(19)20-8-10-7-18(17-16-10)13-6-14-11-4-2-3-5-12(11)15-13/h2-7H,8H2,1H3
InChIKey DGJCBVVQEVQILV-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.18.111
Quality 155
Reported Formula C13H11O2N5
SMILES C12=C(C=CC=C2)N=C(C=N1)N1N=NC(=C1)COC(C)=O
SPLASH splash10-0f9t-0900000000-02200d9ce7edeb8237f5
Source of Spectrum BJO-18-SM51-14l (DOI: 10.3762/bjoc.18.111)
Thin-Layer Chromatography 0.30 (cyclohexane/ethyl acetate, 2:1)
Wiley ID 1901205