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5-[(4,7-Dimethoxy-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydroisoxazole
SpectraBase Compound ID 39DgJ9qZRmD
InChI InChI=1S/C20H21NO6/c1-22-14-6-4-12(5-7-14)16-10-15(27-21-16)8-13-9-17(23-2)19-20(18(13)24-3)26-11-25-19/h4-7,9,15H,8,10-11H2,1-3H3
InChIKey XHAULPRBCMPJSC-UHFFFAOYSA-N
Mol Weight 371.39 g/mol
Molecular Formula C20H21NO6
Exact Mass 371.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 78E8OG3qCr8
Name 5-[(4,7-Dimethoxy-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydroisoxazole
Appearance White solid
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Formula C20H21NO6
InChI InChI=1S/C20H21NO6/c1-22-14-6-4-12(5-7-14)16-10-15(27-21-16)8-13-9-17(23-2)19-20(18(13)24-3)26-11-25-19/h4-7,9,15H,8,10-11H2,1-3H3
InChIKey XHAULPRBCMPJSC-UHFFFAOYSA-N
Instrument Name Finnigan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.5b01007
Molecular Weight 371.389 g/mol
SMILES c12c(c(cc(c2OCO1)OC)CC1CC(=NO1)c1ccc(cc1)OC)OC
SPLASH splash10-0002-0900000000-92b222de55b85c3e9d6d
Source of Spectrum G4-79-925-2d
Wiley ID 1849290