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4-(1'-Acetyl-4'-(4"-ethoxy-3"-methylphenyl))piperidin-4'-yl]-2-bromo-6-methylphenol
SpectraBase Compound ID 7PtIkI6XEIj
InChI InChI=1S/C23H28BrNO3/c1-5-28-21-7-6-18(12-15(21)2)23(8-10-25(11-9-23)17(4)26)19-13-16(3)22(27)20(24)14-19/h6-7,12-14,27H,5,8-11H2,1-4H3
InChIKey XOKYTOIHLOEPIW-UHFFFAOYSA-N
Mol Weight 446.39 g/mol
Molecular Formula C23H28BrNO3
Exact Mass 445.125257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DAYb4FpKFq
Name 4-(1'-Acetyl-4'-(4"-ethoxy-3"-methylphenyl))piperidin-4'-yl]-2-bromo-6-methylphenol
Alternate Name(s) 4-[1-acetyl-4-(4-ethoxy-3-methylphenyl)-4-piperidinyl]-2-bromo-6-methylphenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28BrNO3
InChI InChI=1S/C23H28BrNO3/c1-5-28-21-7-6-18(12-15(21)2)23(8-10-25(11-9-23)17(4)26)19-13-16(3)22(27)20(24)14-19/h6-7,12-14,27H,5,8-11H2,1-4H3
InChIKey XOKYTOIHLOEPIW-UHFFFAOYSA-N
Molecular Weight 446.385 g/mol
SMILES Oc1c(cc(C2(c3cc(C)c(cc3)OCC)CCN(CC2)C(=O)C)cc1Br)C
SPLASH splash10-0006-9002300000-c2d1ac1301d8021ba60e
Source of Spectrum H-80-1585-42
Wiley ID 1386344