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Diethyl 5-Oxo-8,9-dihydro-5H-benzo[7]annulene-6,6(7H)-dicarboxylate
SpectraBase Compound ID 5J18DIPVJBR
InChI InChI=1S/C17H20O5/c1-3-21-15(19)17(16(20)22-4-2)11-7-9-12-8-5-6-10-13(12)14(17)18/h5-6,8,10H,3-4,7,9,11H2,1-2H3
InChIKey IIBPTKDVNXYIMO-UHFFFAOYSA-N
Mol Weight 304.34 g/mol
Molecular Formula C17H20O5
Exact Mass 304.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9SZGfhvNOUZ
Name Diethyl 5-Oxo-8,9-dihydro-5H-benzo[7]annulene-6,6(7H)-dicarboxylate
Appearance Colorless oil
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Formula C17H20O5
InChI InChI=1S/C17H20O5/c1-3-21-15(19)17(16(20)22-4-2)11-7-9-12-8-5-6-10-13(12)14(17)18/h5-6,8,10H,3-4,7,9,11H2,1-2H3
InChIKey IIBPTKDVNXYIMO-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/asia.201901595
Molecular Weight 304.342 g/mol
Reported Formula C17H20O5
SMILES c1cc2c(cc1)C(C(CCC2)(C(=O)OCC)C(=O)OCC)=O
SPLASH splash10-0ugi-1920000000-3f4a6ba5ddf804f3dd4b
Source of Spectrum CAJ-15-SM5-6
Thin-Layer Chromatography Rf = 0.26 (Hexane/AcOEt, 5:1)
Wiley ID 1839709