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(3R)-8-bromo-3-phenacyl-caprylic acid methyl ester
SpectraBase Compound ID E6gPM6iUADT
InChI InChI=1S/C17H23BrO3/c1-21-17(20)13-14(8-4-3-7-11-18)12-16(19)15-9-5-2-6-10-15/h2,5-6,9-10,14H,3-4,7-8,11-13H2,1H3/t14-/m1/s1
InChIKey BXADGYGIXKRHIO-CQSZACIVSA-N
Mol Weight 355.27 g/mol
Molecular Formula C17H23BrO3
Exact Mass 354.083058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48NdznhJtA
Name (3R)-8-bromo-3-phenacyl-caprylic acid methyl ester
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Formula C17H23BrO3
InChI InChI=1S/C17H23BrO3/c1-21-17(20)13-14(8-4-3-7-11-18)12-16(19)15-9-5-2-6-10-15/h2,5-6,9-10,14H,3-4,7-8,11-13H2,1H3/t14-/m1/s1
InChIKey BXADGYGIXKRHIO-CQSZACIVSA-N
Molecular Weight 355.272 g/mol
SMILES C(C[C@](CC(=O)OC)(CCCCCBr)[H])(=O)c1ccccc1
SPLASH splash10-0adi-2900000000-29a1f0c14035e967e8ac
Source of Spectrum K-126-1940-12
Synonyms (3R)-8-bromo-3-phenacyloctanoic acid methyl ester Methyl (3R)-8-bromanyl-3-phenacyl-octanoate Methyl (3R)-8-bromo-3-phenacyl-octanoate
Wiley ID 1344387