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5-(2,3-Dihydro-1,4-benzodioxin-6-yl)[1,2,5]oxadiazolo[3,4-b]pyrazine
SpectraBase Compound ID x8VTdXwPvm
InChI InChI=1S/C12H8N4O3/c1-2-9-10(18-4-3-17-9)5-7(1)8-6-13-11-12(14-8)16-19-15-11/h1-2,5-6H,3-4H2
InChIKey STWBTTVNBJAHSY-UHFFFAOYSA-N
Mol Weight 256.22 g/mol
Molecular Formula C12H8N4O3
Exact Mass 256.05964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMOIEo2D9r3
Name 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)[1,2,5]oxadiazolo[3,4-b]pyrazine
Appearance Orange solid
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Exact Mass 256.059640131 u
Formula C12H8N4O3
InChI InChI=1S/C12H8N4O3/c1-2-9-10(18-4-3-17-9)5-7(1)8-6-13-11-12(14-8)16-19-15-11/h1-2,5-6H,3-4H2
InChIKey STWBTTVNBJAHSY-UHFFFAOYSA-N
Instrument Name Finnigan MAT/INCOS 50
Ionization Type EI
Literature Reference DOI 10.1016/j.rechem.2022.100704
Quality 357
SMILES C=12N=C(C=NC2=NON1)C=1C=CC2=C(C1)OCCO2
SPLASH splash10-0a59-2590000000-85d46b5fdb138a9bd37e
Source of Spectrum REC-5-SM50-13 (DOI: 10.1016/j.rechem.2022.100704)
Wiley ID 1911799