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(2S)-2-m-anisylvaleric acid methyl ester
SpectraBase Compound ID K9HlbT4mLOu
InChI InChI=1S/C14H20O3/c1-4-6-12(14(15)17-3)9-11-7-5-8-13(10-11)16-2/h5,7-8,10,12H,4,6,9H2,1-3H3/t12-/m0/s1
InChIKey YUJIREWTEYFOFJ-LBPRGKRZSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tM0aZKohHr
Name (2S)-2-m-anisylvaleric acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-4-6-12(14(15)17-3)9-11-7-5-8-13(10-11)16-2/h5,7-8,10,12H,4,6,9H2,1-3H3/t12-/m0/s1
InChIKey YUJIREWTEYFOFJ-LBPRGKRZSA-N
Molecular Weight 236.311 g/mol
SMILES C([C@@](CCC)(Cc1cc(ccc1)OC)[H])(=O)OC
SPLASH splash10-002r-0490000000-51238160e7e673afc6d1
Source of Spectrum F2-42-2465-7
Synonyms (2S)-2-[(3-methoxyphenyl)methyl]pentanoic acid methyl ester methyl (2S)-2-[(3-methoxyphenyl)methyl]pentanoate
Wiley ID 1600255