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(5R,8aS)-5-(1-Hydroxyhexyl)-1,5,6,8a-tetrahydro-3H-oxazolo[3,4-a]pyridin-3-one
SpectraBase Compound ID DYZF6Bw8pOE
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-WIKAKEFZSA-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 JuGmStslFHR
Name (5R,8aS)-5-(1-Hydroxyhexyl)-1,5,6,8a-tetrahydro-3H-oxazolo[3,4-a]pyridin-3-one
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-WIKAKEFZSA-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
Reported Formula C13H21NO3
SMILES OC(CCCCC)[C@@]1(N2[C@@](C=CC1)(COC2=O)[H])[H]
SPLASH splash10-000i-4900000000-01808d4627f0d6b2c964
Sample Comments trans/cis = 0:100, dr = 61:39
Source of Spectrum ASC-361-SM7-9a
Wiley ID 1835296