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(5S,8aS)-5-((R)-1-Hydroxyhexyl)-1,5,6,8a-tetrahydro-3H-oxazolo[3,4-a]pyridin-3-one
SpectraBase Compound ID 4IHLvsdpt1L
InChI InChI=1S/C13H21NO3/c1-2-3-4-8-12(15)11-7-5-6-10-9-17-13(16)14(10)11/h5-6,10-12,15H,2-4,7-9H2,1H3/t10-,11-,12+/m0/s1
InChIKey QPZPCYFEOSZWLE-SDDRHHMPSA-N
Mol Weight 239.31 g/mol
Molecular Formula C13H21NO3
Exact Mass 239.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dz0tbEgfRVQ
Name (5S,8aS)-5-((R)-1-Hydroxyhexyl)-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 C13H21NO3
InChI InChI=1S/C13H21NO3/c1-2-3-4-8-12(15)11-7-5-6-10-9-17-13(16)14(10)11/h5-6,10-12,15H,2-4,7-9H2,1H3/t10-,11-,12+/m0/s1
InChIKey QPZPCYFEOSZWLE-SDDRHHMPSA-N
Instrument Name HP 5989A or ThermoFisher Scientific DSQII
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900349
Molecular Weight 239.315 g/mol
Optical Rotation [a]D19 = +8.8 (c = .972, CHCl3)
SMILES O[C@](CCCCC)([C@]1(N2[C@@](C=CC1)(COC2=O)[H])[H])[H]
SPLASH splash10-000i-5900000000-3a5ee7d896757b0c1d9d
Source of Spectrum ASC-361-SM22-(R,S,S)-9a
Thin-Layer Chromatography Rf = 0.46 (hexanes/Et2O, 10:90)
Wiley ID 1835281