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methyl 6-isobutyl-2-methyl-1-oxo-2,3-dihydro-1H-indene-2-carboxylate
SpectraBase Compound ID J18TIKrL3va
InChI InChI=1S/C16H20O3/c1-10(2)7-11-5-6-12-9-16(3,15(18)19-4)14(17)13(12)8-11/h5-6,8,10H,7,9H2,1-4H3
InChIKey GMUOQHCMRQMIQB-UHFFFAOYSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2KedVQSVHJ
Name methyl 6-isobutyl-2-methyl-1-oxo-2,3-dihydro-1H-indene-2-carboxylate
Appearance Orange liquid
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Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-10(2)7-11-5-6-12-9-16(3,15(18)19-4)14(17)13(12)8-11/h5-6,8,10H,7,9H2,1-4H3
InChIKey GMUOQHCMRQMIQB-UHFFFAOYSA-N
Instrument Name MSD5975C
Ionization Type EI
Molecular Weight 260.333 g/mol
SMILES COC(=O)C1(C(c2c(C1)ccc(c2)CC(C)C)=O)C
SPLASH splash10-0pb9-0950000000-8b000d2db77f9be33a8b
Source of Spectrum WO2019092056A1
Wiley ID 1872887