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7-(methoxymethoxy)-3-oxo-1,3-dihydroisobenzofuran-1-carbonitrile
SpectraBase Compound ID KVtpXijryib
InChI InChI=1S/C11H9NO4/c1-14-6-15-8-4-2-3-7-10(8)9(5-12)16-11(7)13/h2-4,9H,6H2,1H3
InChIKey PDRYIORVTZLHGR-UHFFFAOYSA-N
Mol Weight 219.2 g/mol
Molecular Formula C11H9NO4
Exact Mass 219.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2txS232qdDi
Name 7-(methoxymethoxy)-3-oxo-1,3-dihydroisobenzofuran-1-carbonitrile
Appearance White crystalline powder
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Formula C11H9NO4
InChI InChI=1S/C11H9NO4/c1-14-6-15-8-4-2-3-7-10(8)9(5-12)16-11(7)13/h2-4,9H,6H2,1H3
InChIKey PDRYIORVTZLHGR-UHFFFAOYSA-N
Instrument Name Thermo Polaris Q
Ionization Type EI positive ion
Molecular Weight 219.196 g/mol
SMILES C1(OC(c2cccc(c12)OCOC)=O)C#N
SPLASH splash10-03ml-9700000000-6cde3c19e5f4562851fe
Source of Spectrum WO2014019685A1
Thin-Layer Chromatography Rf = 0.91 (silicagel 60, chloroform/methanol, 95:5)
Wiley ID 1849976