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(5S,8aS)-5-((S)-1-Hydroxy-3-methylbutyl)-1,5,6,8a-tetrahydro-3H-oxazolo[3,4-a]pyridin-3-one
SpectraBase Compound ID BkFGo3dRFK8
InChI InChI=1S/C12H19NO3/c1-8(2)6-11(14)10-5-3-4-9-7-16-12(15)13(9)10/h3-4,8-11,14H,5-7H2,1-2H3/t9-,10-,11-/m0/s1
InChIKey SBIFJRGPBSXRCB-DCAQKATOSA-N
Mol Weight 225.29 g/mol
Molecular Formula C12H19NO3
Exact Mass 225.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GKPyBYVb7Eu
Name (5S,8aS)-5-((S)-1-Hydroxy-3-methylbutyl)-1,5,6,8a-tetrahydro-3H-oxazolo[3,4-a]pyridin-3-one
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO3
InChI InChI=1S/C12H19NO3/c1-8(2)6-11(14)10-5-3-4-9-7-16-12(15)13(9)10/h3-4,8-11,14H,5-7H2,1-2H3/t9-,10-,11-/m0/s1
InChIKey SBIFJRGPBSXRCB-DCAQKATOSA-N
Instrument Name HP 5989A or ThermoFisher Scientific DSQII
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900349
Molecular Weight 225.288 g/mol
Optical Rotation [a]D19 = +3.5 (c = 1, CHCl3)
SMILES O[C@@](CC(C)C)([C@]1(N2[C@@](C=CC1)(COC2=O)[H])[H])[H]
SPLASH splash10-00kf-9100000000-b1080375d32ebd2a2b71
Source of Spectrum ASC-361-SM21-(S,S,S)-8a
Thin-Layer Chromatography Rf = 0.45 (hexanes/ethyl acetate, 50:50)
Wiley ID 1835287