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(R/S)-Methyl-2-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-b]quinolin-2-yl)-2-phenylacetate
SpectraBase Compound ID 7AZ97i7vtG2
InChI InChI=1S/C20H14N2O4/c1-26-20(25)17(12-7-3-2-4-8-12)22-18(23)14-11-13-9-5-6-10-15(13)21-16(14)19(22)24/h2-11,17H,1H3
InChIKey IIIDTFOLMRMYTO-UHFFFAOYSA-N
Mol Weight 346.34 g/mol
Molecular Formula C20H14N2O4
Exact Mass 346.095357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3co8M9NhTme
Name (R/S)-Methyl-2-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-b]quinolin-2-yl)-2-phenylacetate
Appearance Off white solid
Carrier Gas Helium
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Exact Mass 346.095356935 u
Formula C20H14N2O4
GC Oven Program Oven temp 320oC
InChI InChI=1S/C20H14N2O4/c1-26-20(25)17(12-7-3-2-4-8-12)22-18(23)14-11-13-9-5-6-10-15(13)21-16(14)19(22)24/h2-11,17H,1H3
InChIKey IIIDTFOLMRMYTO-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-2020
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202201374
Molecular Weight 346.342 g/mol
Quality 185
Reported Formula C20H14N2O4
SMILES COC(C(C1=CC=CC=C1)N1C(C2=NC=3C=CC=CC3C=C2C1=O)=O)=O
SPLASH splash10-000i-0492000000-be3bd9901720530f335d
Source of Spectrum K1-26-SM8-3d (DOI: 10.1002/ejoc.202201374)
Thin-Layer Chromatography 0.45 (CHCl3/EtOAc, 99:1)
Wiley ID 1910403