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4H-1-Benzopyran-4-one, 2-[1-hydroxy-1-(3-methyloxiranyl)ethyl]-, [2.alpha.(S*),3.beta.]-(.+-.)-
SpectraBase Compound ID 51d4RhxDMf1
InChI InChI=1S/C14H14O4/c1-8-13(17-8)14(2,16)12-7-10(15)9-5-3-4-6-11(9)18-12/h3-8,13,16H,1-2H3/t8-,13+,14-/m1/s1
InChIKey BAXVQZIKAGSYDN-NFMODRRSSA-N
Mol Weight 246.26 g/mol
Molecular Formula C14H14O4
Exact Mass 246.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Wbf41fCmCt
Name 4H-1-Benzopyran-4-one, 2-[1-hydroxy-1-(3-methyloxiranyl)ethyl]-, [2.alpha.(S*),3.beta.]-(.+-.)-
CAS Registry Number 86648-97-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O4
InChI InChI=1S/C14H14O4/c1-8-13(17-8)14(2,16)12-7-10(15)9-5-3-4-6-11(9)18-12/h3-8,13,16H,1-2H3/t8-,13+,14-/m1/s1
InChIKey BAXVQZIKAGSYDN-NFMODRRSSA-N
Molecular Weight 246.262 g/mol
SMILES O[C@](C1=CC(=O)c2c(O1)cccc2)([C@]1(O[C@@]1(C)[H])[H])C
SPLASH splash10-000g-5900000000-0f9e3654671d5e4d139b
Source of Spectrum H-66-599-0
Synonyms 2-[(1S)-1-hydroxy-1-[(2S,3R)-3-methyloxiran-2-yl]ethyl]-4H-chromen-4-one 2-[(2RS,3SR)-2,3-epoxy-1-hydroxy-1-methyl]-4H-chromen-4-one Diastereoisomer of 2-[(2RS,3SR)-2,3-epoxy-1-hydroxy-1-methyl]-4H-chromen-4-one
Wiley ID 1248942