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(+-)-(3S,4R)-4-Hydroxy-3-((S)-1-(oxazol-4-yl)propan-2-yl)isochroman-1-one
SpectraBase Compound ID JEjmot1tEC8
InChI InChI=1S/C15H15NO4/c1-9(6-10-7-19-8-16-10)14-13(17)11-4-2-3-5-12(11)15(18)20-14/h2-5,7-9,13-14,17H,6H2,1H3/t9-,13+,14-/m0/s1
InChIKey MLASGOOXWOKEOV-FZZIBODNSA-N
Mol Weight 273.29 g/mol
Molecular Formula C15H15NO4
Exact Mass 273.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7DEie59BrCo
Name (+-)-(3S,4R)-4-Hydroxy-3-((S)-1-(oxazol-4-yl)propan-2-yl)isochroman-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C15H15NO4
InChI InChI=1S/C15H15NO4/c1-9(6-10-7-19-8-16-10)14-13(17)11-4-2-3-5-12(11)15(18)20-14/h2-5,7-9,13-14,17H,6H2,1H3/t9-,13+,14-/m0/s1
InChIKey MLASGOOXWOKEOV-FZZIBODNSA-N
Molecular Weight 273.288 g/mol
SMILES O[C@]1([C@@](OC(c2ccccc12)=O)([C@](Cc1ncoc1)(C)[H])[H])[H]
SPLASH splash10-00di-0090000000-1711203680ef92d57bbe
Source of Spectrum F-67-9704-20
Wiley ID 1707365