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p-Hydroxy-isoptin
SpectraBase Compound ID KnMKNzwlF8S
InChI InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-10-22(29)24(17-21)31-5)13-7-14-28(3)15-12-20-8-11-23(30-4)25(16-20)32-6/h8-11,16-17,19,29H,7,12-15H2,1-6H3
InChIKey WLKVZSXOMGNZLB-UHFFFAOYSA-N
Mol Weight 440.6 g/mol
Molecular Formula C26H36N2O4
Exact Mass 440.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4UfIu3XgQf
Name p-Hydroxy-isoptin
Alternate Name(s) 5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(3-methoxy-4-oxidanyl-phenyl)-2-propan-2-yl-pentanenitrile 5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(4-hydroxy-3-methoxy-phenyl)-2-isopropyl-pentanenitrile 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(4-hydroxy-3-methoxyphenyl)-2-propan-2-ylpentanenitrile 5-[homoveratryl(methyl)amino]-2-(4-hydroxy-3-methoxy-phenyl)-2-isopropyl-valeronitrile
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Formula C26H36N2O4
InChI InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-10-22(29)24(17-21)31-5)13-7-14-28(3)15-12-20-8-11-23(30-4)25(16-20)32-6/h8-11,16-17,19,29H,7,12-15H2,1-6H3
InChIKey WLKVZSXOMGNZLB-UHFFFAOYSA-N
Molecular Weight 440.584 g/mol
SMILES Oc1ccc(cc1OC)C(C(C)C)(C#N)CCCN(C)CCc1cc(c(cc1)OC)OC
SPLASH splash10-0553-9340000000-7a3ce3e4cdad33c46119
Source of Spectrum HE-1986-1629-0
Wiley ID 1384767