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4-[1,2,5]Oxadiazolo[3,4-b]pyrazin-5-ylbenzoic acid
SpectraBase Compound ID 38yHwJvaYiL
InChI InChI=1S/C11H6N4O3/c16-11(17)7-3-1-6(2-4-7)8-5-12-9-10(13-8)15-18-14-9/h1-5H,(H,16,17)
InChIKey WLVHRLQBKRTFHQ-UHFFFAOYSA-N
Mol Weight 242.19 g/mol
Molecular Formula C11H6N4O3
Exact Mass 242.04399 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RWI9ll7QXF
Name 4-[1,2,5]Oxadiazolo[3,4-b]pyrazin-5-ylbenzoic acid
Appearance Grey solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.043990066 u
Formula C11H6N4O3
InChI InChI=1S/C11H6N4O3/c16-11(17)7-3-1-6(2-4-7)8-5-12-9-10(13-8)15-18-14-9/h1-5H,(H,16,17)
InChIKey WLVHRLQBKRTFHQ-UHFFFAOYSA-N
Instrument Name Finnigan MAT/INCOS 50
Ionization Type EI
Literature Reference DOI 10.1016/j.rechem.2022.100704
Quality 231
SMILES OC(C=1C=CC(C2=NC=3C(N=C2)=NON3)=CC1)=O
SPLASH splash10-001l-9520000000-ab8db8f59b636390ee39
Source of Spectrum REC-5-SM53-22 (DOI: 10.1016/j.rechem.2022.100704)
Wiley ID 1911809