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Methyl 3-[6-(1H-pyrrol-1-yl)pyridazin-3-yl]benzoate
SpectraBase Compound ID GCygtgMulbx
InChI InChI=1S/C16H13N3O2/c1-21-16(20)13-6-4-5-12(11-13)14-7-8-15(18-17-14)19-9-2-3-10-19/h2-11H,1H3
InChIKey HGYLXBHPVOLSBA-UHFFFAOYSA-N
Mol Weight 279.3 g/mol
Molecular Formula C16H13N3O2
Exact Mass 279.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Wl8VhbzQhr
Name Methyl 3-[6-(1H-pyrrol-1-yl)pyridazin-3-yl]benzoate
Appearance Yellow solid
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Exact Mass 279.100776669 u
Formula C16H13N3O2
InChI InChI=1S/C16H13N3O2/c1-21-16(20)13-6-4-5-12(11-13)14-7-8-15(18-17-14)19-9-2-3-10-19/h2-11H,1H3
InChIKey HGYLXBHPVOLSBA-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/jo3022428
Quality 282
Reported Formula C16H13N3O2
SMILES COC(C1=CC(=CC=C1)C=1N=NC(=CC1)N1C=CC=C1)=O
SPLASH splash10-00b9-0190000000-a09dedab5c7f422e7d9e
Source of Spectrum JOC-78-378-2x (DOI: 10.1021/jo3022428)
Wiley ID 1911665