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[3-Cyano-4-(4-isopropyl-phenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-pyridin-2-yloxy]-acetic acid ethyl ester
SpectraBase Compound ID K2IQ66hJ31l
InChI InChI=1S/C29H30N2O3/c1-4-33-28(32)18-34-29-26(17-30)25(22-12-9-20(10-13-22)19(2)3)16-27(31-29)24-14-11-21-7-5-6-8-23(21)15-24/h9-16,19H,4-8,18H2,1-3H3
InChIKey DXIAPUCVTSXHMC-UHFFFAOYSA-N
Mol Weight 454.57 g/mol
Molecular Formula C29H30N2O3
Exact Mass 454.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvHfDDQF5dj
Name [3-Cyano-4-(4-isopropyl-phenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-pyridin-2-yloxy]-acetic acid ethyl ester
Alternate Name(s) 2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetic acid ethyl ester ethyl 2-[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-2-yl]oxyacetate ethyl 2-[[3-cyano-4-(4-isopropylphenyl)-6-tetralin-6-yl-2-pyridyl]oxy]acetate ethyl 2-[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-2-yl]oxyethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C29H30N2O3
InChI InChI=1S/C29H30N2O3/c1-4-33-28(32)18-34-29-26(17-30)25(22-12-9-20(10-13-22)19(2)3)16-27(31-29)24-14-11-21-7-5-6-8-23(21)15-24/h9-16,19H,4-8,18H2,1-3H3
InChIKey DXIAPUCVTSXHMC-UHFFFAOYSA-N
Molecular Weight 454.570 g/mol
SMILES c1(c(nc(cc1-c1ccc(cc1)C(C)C)-c1cc2CCCCc2cc1)OCC(=O)OCC)C#N
SPLASH splash10-0udi-0000900000-1d65e21f54e7aa4f1bf7
Source of Spectrum F2-44-4554-7b
Wiley ID 1714972