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(Z)-3-Butyl-1-[(methoxycarbonyl)(phenyl)methylene]-1,3-dihydroisobenzofuran
SpectraBase Compound ID 5psAcuwYLbw
InChI InChI=1S/C21H22O3/c1-3-4-14-18-16-12-8-9-13-17(16)20(24-18)19(21(22)23-2)15-10-6-5-7-11-15/h5-13,18H,3-4,14H2,1-2H3/b20-19-
InChIKey AQZITSAJRZPDGJ-VXPUYCOJSA-N
Mol Weight 322.4 g/mol
Molecular Formula C21H22O3
Exact Mass 322.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jlEPVqdONu
Name (Z)-3-Butyl-1-[(methoxycarbonyl)(phenyl)methylene]-1,3-dihydroisobenzofuran
Alternate Name(s) Methyl (2Z)-(3-butyl-2-benzofuran-1(3H)-ylidene)(phenyl)ethanoate (2Z)-2-(3-butyl-3H-isobenzofuran-1-ylidene)-2-phenylacetic acid methyl ester Methyl (2Z)-2-(3-butyl-3H-2-benzofuran-1-ylidene)-2-phenylacetate Methyl (2Z)-2-(3-butyl-3H-isobenzofuran-1-ylidene)-2-phenyl-acetate Methyl (2Z)-2-(3-butyl-3H-2-benzofuran-1-ylidene)-2-phenyl-ethanoate
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Formula C21H22O3
InChI InChI=1S/C21H22O3/c1-3-4-14-18-16-12-8-9-13-17(16)20(24-18)19(21(22)23-2)15-10-6-5-7-11-15/h5-13,18H,3-4,14H2,1-2H3/b20-19-
InChIKey AQZITSAJRZPDGJ-VXPUYCOJSA-N
Molecular Weight 322.404 g/mol
SMILES C1(O\C(c2ccccc12)=C/(c1ccccc1)C(=O)OC)CCCC
SPLASH splash10-00xr-0197000000-fd36633ecbe2a39aee48
Source of Spectrum K1-2004-581-2
Wiley ID 1560334