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(5S)-3-keto-5-p-anisyloxy-hexanoic acid ethyl ester
SpectraBase Compound ID EGkbVAUDKR3
InChI InChI=1S/C16H22O5/c1-4-20-16(18)10-14(17)9-12(2)21-11-13-5-7-15(19-3)8-6-13/h5-8,12H,4,9-11H2,1-3H3/t12-/m0/s1
InChIKey XWGSVFBPVPFNAH-LBPRGKRZSA-N
Mol Weight 294.35 g/mol
Molecular Formula C16H22O5
Exact Mass 294.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFVo9yHKlFj
Name (5S)-3-keto-5-p-anisyloxy-hexanoic acid ethyl ester
Alternate Name(s) (5S)-5-[(4-methoxyphenyl)methoxy]-3-oxohexanoic acid ethyl ester ethyl (5S)-5-[(4-methoxyphenyl)methoxy]-3-oxidanylidene-hexanoate ethyl (5S)-5-[(4-methoxyphenyl)methoxy]-3-oxo-hexanoate
Comments Less than 3 mono-isotopic peaks
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Formula C16H22O5
InChI InChI=1S/C16H22O5/c1-4-20-16(18)10-14(17)9-12(2)21-11-13-5-7-15(19-3)8-6-13/h5-8,12H,4,9-11H2,1-3H3/t12-/m0/s1
InChIKey XWGSVFBPVPFNAH-LBPRGKRZSA-N
Molecular Weight 294.347 g/mol
SMILES C(C(=O)OCC)C(C[C@@](OCc1ccc(cc1)OC)(C)[H])=O
SPLASH splash10-00di-0900000000-12b0de503171ed708861
Source of Spectrum F-51-8989-8
Wiley ID 793114