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(R,E)-Methyl 3-[1-(2-iodobenzoyl)piperidin-2-yl]acrylate
SpectraBase Compound ID H1aNRbCxCoe
InChI InChI=1S/C16H18INO3/c1-21-15(19)10-9-12-6-4-5-11-18(12)16(20)13-7-2-3-8-14(13)17/h2-3,7-10,12H,4-6,11H2,1H3/b10-9+/t12-/m1/s1
InChIKey ZTCYQEDAMCGPIO-BZYZDCJZSA-N
Mol Weight 399.23 g/mol
Molecular Formula C16H18INO3
Exact Mass 399.033138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EwgDDyizwEQ
Name (R,E)-Methyl 3-[1-(2-iodobenzoyl)piperidin-2-yl]acrylate
Alternate Name(s) Methyl (2E)-3-[(2R)-1-(2-iodobenzoyl)piperidinyl]-2-propenoate
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Formula C16H18INO3
InChI InChI=1S/C16H18INO3/c1-21-15(19)10-9-12-6-4-5-11-18(12)16(20)13-7-2-3-8-14(13)17/h2-3,7-10,12H,4-6,11H2,1H3/b10-9+/t12-/m1/s1
InChIKey ZTCYQEDAMCGPIO-BZYZDCJZSA-N
Molecular Weight 399.228 g/mol
SMILES C(N1[C@@](\C=C\C(=O)OC)(CCCC1)[H])(c1c(I)cccc1)=O
SPLASH splash10-003r-4590000000-b14ea985d5980cb7fde6
Source of Spectrum O1-60-65-7
Wiley ID 1591892