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(1S,3R)-Acetic acid 3-Formyl-1,4-dimethyl-3-phenylpentyl Ester
SpectraBase Compound ID GZDjeT0nRWU
InChI InChI=1S/C16H22O3/c1-12(2)16(11-17,10-13(3)19-14(4)18)15-8-6-5-7-9-15/h5-9,11-13H,10H2,1-4H3/t13-,16+/m0/s1
InChIKey BOASYKBEVNEPCU-XJKSGUPXSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DiCwVKOeQXY
Name (1S,3R)-Acetic acid 3-Formyl-1,4-dimethyl-3-phenylpentyl Ester
Alternate Name(s) Acetic acid[(1S,3R)-3-formyl-1,4-dimethyl-3-phenyl-pentyl]ester Acetic acid[(2S,4R)-4-formyl-5-methyl-4-phenylhexan-2-yl]ester [(1S,3R)-3-formyl-1,4-dimethyl-3-phenyl-pentyl]acetate [(2S,4R)-4-formyl-5-methyl-4-phenylhexan-2-yl]acetate [(2S,4R)-4-methanoyl-5-methyl-4-phenyl-hexan-2-yl]ethanoate Acetic acid [(2S,4R)-4-formyl-5-methyl-4-phenylhexan-2-yl] ester [(2S,4R)-4-formyl-5-methyl-4-phenylhexan-2-yl] acetate [(1S,3R)-3-formyl-1,4-dimethyl-3-phenyl-pentyl] acetate [(2S,4R)-4-methanoyl-5-methyl-4-phenyl-hexan-2-yl] ethanoate
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Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-12(2)16(11-17,10-13(3)19-14(4)18)15-8-6-5-7-9-15/h5-9,11-13H,10H2,1-4H3/t13-,16+/m0/s1
InChIKey BOASYKBEVNEPCU-XJKSGUPXSA-N
Molecular Weight 262.349 g/mol
SMILES [C@@](C[C@@](OC(=O)C)(C)[H])(c1ccccc1)(C=O)C(C)C
SPLASH splash10-001i-0900000000-77b649b8f0441c688f29
Source of Spectrum CV-2005-1154-11
Wiley ID 1611665