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tert-Butyl 2-((3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)oxy)acetate
SpectraBase Compound ID 5cMoXirsHs7
InChI InChI=1S/C17H18O5/c1-10-14(19)11-7-5-6-8-12(11)15(20)16(10)21-9-13(18)22-17(2,3)4/h5-8H,9H2,1-4H3
InChIKey RQAGHFBLNKBOOY-UHFFFAOYSA-N
Mol Weight 302.33 g/mol
Molecular Formula C17H18O5
Exact Mass 302.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7rIqpkAI35
Name tert-Butyl 2-((3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)oxy)acetate
Appearance Yellow solid
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Formula C17H18O5
InChI InChI=1S/C17H18O5/c1-10-14(19)11-7-5-6-8-12(11)15(20)16(10)21-9-13(18)22-17(2,3)4/h5-8H,9H2,1-4H3
InChIKey RQAGHFBLNKBOOY-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/ml300242v
SMILES C(OC(C)(C)C)(COC=1C(c2c(C(C1C)=O)cccc2)=O)=O
SPLASH splash10-0udi-0390000000-07a4c4c1fc57441ed0c3
Source of Spectrum MCS-3-SM6-29
Thin-Layer Chromatography Rf = 0.34 (hexanes/EtOAc, 9:1)
Wiley ID 1864065