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(2S,3R)-1-[4'-Methoxyphenoxy]-3-methylpent-4-yne-2,3-diol

View entire compound with spectra: 1 MS (GC)

(2S,3R)-1-[4'-Methoxyphenoxy]-3-methylpent-4-yne-2,3-diol
SpectraBase Compound ID D6dBUHLJk1d
InChI InChI=1S/C13H16O4/c1-4-13(2,15)12(14)9-17-11-7-5-10(16-3)6-8-11/h1,5-8,12,14-15H,9H2,2-3H3/t12-,13+/m0/s1
InChIKey AAFBKGLCAQCKNQ-QWHCGFSZSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3VmM1yQbVPJ
Name (2S,3R)-1-[4'-Methoxyphenoxy]-3-methylpent-4-yne-2,3-diol
Alternate Name(s) (2S,3R)-1-[4'-Methoxyphenyl-oxy]-3-methylpent-4-yne-2,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-4-13(2,15)12(14)9-17-11-7-5-10(16-3)6-8-11/h1,5-8,12,14-15H,9H2,2-3H3/t12-,13+/m0/s1
InChIKey AAFBKGLCAQCKNQ-QWHCGFSZSA-N
Molecular Weight 236.267 g/mol
SMILES O[C@]([C@@](C#C)(O)C)(COc1ccc(cc1)OC)[H]
SPLASH splash10-00di-0940000000-d6485f3377fec13c4b1e
Source of Spectrum U-1997-2223-11b
Wiley ID 770331