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(2R,3R,6R)-3-Hydroxy-6-(4-methoxyphenyl)-2-methyloxan-4-one
SpectraBase Compound ID EJQ7847JACV
InChI InChI=1S/C13H16O4/c1-8-13(15)11(14)7-12(17-8)9-3-5-10(16-2)6-4-9/h3-6,8,12-13,15H,7H2,1-2H3/t8-,12-,13-/m1/s1
InChIKey CMDVYEQDCPKWET-BZHVJNSISA-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 8hyaFppHPrO
Name (2R,3R,6R)-3-Hydroxy-6-(4-methoxyphenyl)-2-methyloxan-4-one
Alternate Name(s) (2R,3R,6R)-3-hydroxy-6-(4-methoxyphenyl)-2-methyltetrahydro-4H-pyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-8-13(15)11(14)7-12(17-8)9-3-5-10(16-2)6-4-9/h3-6,8,12-13,15H,7H2,1-2H3/t8-,12-,13-/m1/s1
InChIKey CMDVYEQDCPKWET-BZHVJNSISA-N
Literature Reference DOI 10.1002/anie.201205913
Molecular Weight 236.267 g/mol
SMILES O[C@@]1([C@](O[C@](CC1=O)(c1ccc(cc1)OC)[H])(C)[H])[H]
SPLASH splash10-00sc-4900000000-24c2c5540b09219a7b11
Source of Spectrum ACI-51-SMS-41-15
Wiley ID 1780781