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3H-2-Benzopyran-3-one, 4-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]-1,4-dihydro-7,8-dimethoxy-, (.+-.)-
SpectraBase Compound ID 1Va3suWSIeV
InChI InChI=1S/C22H27NO6/c1-23(11-10-14-6-8-17(25-2)19(12-14)27-4)20-15-7-9-18(26-3)21(28-5)16(15)13-29-22(20)24/h6-9,12,20H,10-11,13H2,1-5H3
InChIKey FNMRZBKKPJGSEJ-UHFFFAOYSA-N
Mol Weight 401.46 g/mol
Molecular Formula C22H27NO6
Exact Mass 401.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUfWDD0EE4r
Name 3H-2-Benzopyran-3-one, 4-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]-1,4-dihydro-7,8-dimethoxy-, (.+-.)-
Alternate Name(s) 4-(N-methyl-.beta.-3',4'-dimethoxyphenylthylamino)-7,8-dimethoxyisochroman-3-one 4-[[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino]-7,8-dimethoxy-1,4-dihydro-3H-2-benzopyran-3-one
CAS Registry Number 83864-44-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO6
InChI InChI=1S/C22H27NO6/c1-23(11-10-14-6-8-17(25-2)19(12-14)27-4)20-15-7-9-18(26-3)21(28-5)16(15)13-29-22(20)24/h6-9,12,20H,10-11,13H2,1-5H3
InChIKey FNMRZBKKPJGSEJ-UHFFFAOYSA-N
Molecular Weight 401.459 g/mol
SMILES c12c(c(OC)c(cc2)OC)COC(C1N(CCc1cc(OC)c(cc1)OC)C)=O
SPLASH splash10-0zfr-0290000000-fb7edd581eb5cd64f8bb
Source of Spectrum I-60-2685-0
Wiley ID 1369990