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3-(2'-[.beta.-(N-Ethoxycarbonyl-N-methyl)aminoethyl]-4',5'-methylenedioxyphenyl)isochroman-1,4-dione
SpectraBase Compound ID FvJQ1H3h07X
InChI InChI=1S/C22H21NO7/c1-3-27-22(26)23(2)9-8-13-10-17-18(29-12-28-17)11-16(13)20-19(24)14-6-4-5-7-15(14)21(25)30-20/h4-7,10-11,20H,3,8-9,12H2,1-2H3
InChIKey FYEHWGGWGRDHOB-UHFFFAOYSA-N
Mol Weight 411.41 g/mol
Molecular Formula C22H21NO7
Exact Mass 411.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zyUNVLAjxi
Name 3-(2'-[.beta.-(N-Ethoxycarbonyl-N-methyl)aminoethyl]-4',5'-methylenedioxyphenyl)isochroman-1,4-dione
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Formula C22H21NO7
InChI InChI=1S/C22H21NO7/c1-3-27-22(26)23(2)9-8-13-10-17-18(29-12-28-17)11-16(13)20-19(24)14-6-4-5-7-15(14)21(25)30-20/h4-7,10-11,20H,3,8-9,12H2,1-2H3
InChIKey FYEHWGGWGRDHOB-UHFFFAOYSA-N
Molecular Weight 411.410 g/mol
SMILES C1(OC(=O)c2c(C1=O)cccc2)c1c(cc2c(c1)OCO2)CCN(C(=O)OCC)C
SPLASH splash10-014l-5910100000-698f6fa81e2ca7517171
Source of Spectrum F-41-2889-0
Synonyms Ethyl 2-[6-(1,4-dioxo-3,4-dihydro-1H-2-benzopyran-3-yl)-1,3-benzodioxol-5-yl]ethyl(methyl)carbamate
Wiley ID 1374083