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Ethyl .alpha.-Ethoxycarbonyl-5,6-(methylenedioxy)-2-trifluoromethylindole-3-propanoate
SpectraBase Compound ID KCb48OmZfXN
InChI InChI=1S/C18H18F3NO6/c1-3-25-16(23)11(17(24)26-4-2)5-10-9-6-13-14(28-8-27-13)7-12(9)22-15(10)18(19,20)21/h6-7,11,22H,3-5,8H2,1-2H3
InChIKey JMFJIUZANUMIBH-UHFFFAOYSA-N
Mol Weight 401.34 g/mol
Molecular Formula C18H18F3NO6
Exact Mass 401.108622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ca2kddjuOi3
Name Ethyl .alpha.-Ethoxycarbonyl-5,6-(methylenedioxy)-2-trifluoromethylindole-3-propanoate
Alternate Name(s) Diethyl 2-{[6-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl]methyl}malonate 2-[[6-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl]methyl]propanedioic acid diethyl ester Diethyl 2-[[6-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl]methyl]propanedioate
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Formula C18H18F3NO6
InChI InChI=1S/C18H18F3NO6/c1-3-25-16(23)11(17(24)26-4-2)5-10-9-6-13-14(28-8-27-13)7-12(9)22-15(10)18(19,20)21/h6-7,11,22H,3-5,8H2,1-2H3
InChIKey JMFJIUZANUMIBH-UHFFFAOYSA-N
Molecular Weight 401.338 g/mol
SMILES [nH]1c2cc3c(cc2c(c1C(F)(F)F)CC(C(=O)OCC)C(=O)OCC)OCO3
SPLASH splash10-0udi-0004900000-ec09933507bfe34ff6c1
Source of Spectrum E1-45-934-9
Wiley ID 1553977