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(E)-1-[(Butyl)(methoxycarbonyl)methylene]-1,3-dihydroisobenzofuran
SpectraBase Compound ID CsLq7ixcLBb
InChI InChI=1S/C15H18O3/c1-3-4-8-13(15(16)17-2)14-12-9-6-5-7-11(12)10-18-14/h5-7,9H,3-4,8,10H2,1-2H3/b14-13+
InChIKey NYVHRKMJBMPMDI-BUHFOSPRSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyOIr4qLvCI
Name (E)-1-[(Butyl)(methoxycarbonyl)methylene]-1,3-dihydroisobenzofuran
Alternate Name(s) Methyl (2E)-2-(2-benzofuran-1(3H)-ylidene)hexanoate (2E)-2-(3H-isobenzofuran-1-ylidene)hexanoic acid methyl ester Methyl (2E)-2-(3H-isobenzofuran-1-ylidene)hexanoate Methyl (2E)-2-(3H-2-benzofuran-1-ylidene)hexanoate
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Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-3-4-8-13(15(16)17-2)14-12-9-6-5-7-11(12)10-18-14/h5-7,9H,3-4,8,10H2,1-2H3/b14-13+
InChIKey NYVHRKMJBMPMDI-BUHFOSPRSA-N
Molecular Weight 246.306 g/mol
SMILES C1O\C(c2ccccc12)=C/(C(=O)OC)CCCC
SPLASH splash10-0udj-0590000000-d2859df5a47bf9daf5e5
Source of Spectrum K1-2004-580-2
Wiley ID 1560232