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(S)-4-(3-Methoxyphenoxy)-2-methylbutane-1,2-diol
SpectraBase Compound ID KwqQJw3hlL4
InChI InChI=1S/C12H18O4/c1-12(14,9-13)6-7-16-11-5-3-4-10(8-11)15-2/h3-5,8,13-14H,6-7,9H2,1-2H3/t12-/m0/s1
InChIKey JWCDXKRLNGSNNY-LBPRGKRZSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J4t6weDMbw9
Name (S)-4-(3-Methoxyphenoxy)-2-methylbutane-1,2-diol
Comments Less than 3 mono-isotopic peaks
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Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-12(14,9-13)6-7-16-11-5-3-4-10(8-11)15-2/h3-5,8,13-14H,6-7,9H2,1-2H3/t12-/m0/s1
InChIKey JWCDXKRLNGSNNY-LBPRGKRZSA-N
Molecular Weight 226.272 g/mol
SMILES O[C@](CO)(CCOc1cc(OC)ccc1)C
SPLASH splash10-00di-0910000000-aed0c894a7cb14a977f3
Source of Spectrum SO-0-877-19
Synonyms (2S)-4-(3-methoxyphenoxy)-2-methyl-1,2-butanediol
Wiley ID 875527