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(5S,8aS)-5-((R)-hydroxy(phenyl)methyl)-1,5,6,8a-tetrahydro-3H-oxazolo[3,4-a]pyridin-3-one
SpectraBase Compound ID 7NPqUtV3NNF
InChI InChI=1S/C14H15NO3/c16-13(10-5-2-1-3-6-10)12-8-4-7-11-9-18-14(17)15(11)12/h1-7,11-13,16H,8-9H2/t11-,12-,13-/m0/s1
InChIKey GVFVMVVIRWPCNG-AVGNSLFASA-N
Mol Weight 245.28 g/mol
Molecular Formula C14H15NO3
Exact Mass 245.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8PrGCKEUWTm
Name (5S,8aS)-5-((R)-hydroxy(phenyl)methyl)-1,5,6,8a-tetrahydro-3H-oxazolo[3,4-a]pyridin-3-one
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO3
InChI InChI=1S/C14H15NO3/c16-13(10-5-2-1-3-6-10)12-8-4-7-11-9-18-14(17)15(11)12/h1-7,11-13,16H,8-9H2/t11-,12-,13-/m0/s1
InChIKey GVFVMVVIRWPCNG-AVGNSLFASA-N
Instrument Name HP 5989A or ThermoFisher Scientific DSQII
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900349
Molecular Weight 245.278 g/mol
Optical Rotation [a]D19 = +47.8 (c = 1, CHCl3)
SMILES O[C@@](c1ccccc1)([C@]1(N2[C@@](C=CC1)(COC2=O)[H])[H])[H]
SPLASH splash10-00mo-9200000000-fb2d37cd6c2a1d9f1d89
Source of Spectrum ASC-361-SM20-(S,S,S)-7a
Thin-Layer Chromatography Rf = 0.28 (hexanes/ethyl acetate, 50:50)
Wiley ID 1835286