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methyl 2-methyl-5-(3-methylbutanoyl)-2,3-dihydro-1H-indene-2-carboxylate
SpectraBase Compound ID 6nMFHcfjoC9
InChI InChI=1S/C17H22O3/c1-11(2)7-15(18)12-5-6-13-9-17(3,16(19)20-4)10-14(13)8-12/h5-6,8,11H,7,9-10H2,1-4H3
InChIKey CBVQXLVVJIRESY-UHFFFAOYSA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJf9rERSfIj
Name methyl 2-methyl-5-(3-methylbutanoyl)-2,3-dihydro-1H-indene-2-carboxylate
Appearance Orange liquid
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Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-11(2)7-15(18)12-5-6-13-9-17(3,16(19)20-4)10-14(13)8-12/h5-6,8,11H,7,9-10H2,1-4H3
InChIKey CBVQXLVVJIRESY-UHFFFAOYSA-N
Instrument Name MSD5975C
Ionization Type EI
Molecular Weight 274.360 g/mol
SMILES COC(=O)C1(Cc2c(C1)cc(cc2)C(CC(C)C)=O)C
SPLASH splash10-016r-0940000000-9c12cf8ed99e38e6b8e4
Source of Spectrum WO2019092056A1
Wiley ID 1872891