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5-Isoxazolemethanamine, 3-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenyl)ethyl]-
SpectraBase Compound ID 1ph67iHiuZ7
InChI InChI=1S/C20H20N2O4/c1-23-16-5-2-14(3-6-16)8-9-21-12-17-11-18(22-26-17)15-4-7-19-20(10-15)25-13-24-19/h2-7,10-11,21H,8-9,12-13H2,1H3
InChIKey NRFZCUGOZMUONQ-UHFFFAOYSA-N
Mol Weight 352.39 g/mol
Molecular Formula C20H20N2O4
Exact Mass 352.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3yuknePhqUO
Name 5-Isoxazolemethanamine, 3-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenyl)ethyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O4
InChI InChI=1S/C20H20N2O4/c1-23-16-5-2-14(3-6-16)8-9-21-12-17-11-18(22-26-17)15-4-7-19-20(10-15)25-13-24-19/h2-7,10-11,21H,8-9,12-13H2,1H3
InChIKey NRFZCUGOZMUONQ-UHFFFAOYSA-N
Molecular Weight 352.390 g/mol
SMILES N(Cc1onc(c1)-c1cc2c(OCO2)cc1)CCc1ccc(OC)cc1
SPLASH splash10-0089-2890000000-7b796ecf2f7b1fc6828e
Source of Spectrum IY-1-4652-4
Synonyms N-[[3-(1,3-benzodioxol-5-yl)-5-isoxazolyl]methyl]-2-(4-methoxyphenyl)ethanamine N-[[3-(1,3-benzodioxol-5-yl)isoxazol-5-yl]methyl]-2-(4-methoxyphenyl)ethanamine N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-2-(4-methoxyphenyl)ethanamine
Wiley ID 1654507