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(S)-4-Benzyl-3-((S)-2-methylhexanoyl)oxazolidin-2-one
SpectraBase Compound ID 7Klt6Wh7zma
InChI InChI=1S/C17H23NO3/c1-3-4-8-13(2)16(19)18-15(12-21-17(18)20)11-14-9-6-5-7-10-14/h5-7,9-10,13,15H,3-4,8,11-12H2,1-2H3/t13-,15-/m0/s1
InChIKey JLOKDWJKCCPINR-ZFWWWQNUSA-N
Mol Weight 289.38 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71GCl7PzFYe
Name (S)-4-Benzyl-3-((S)-2-methylhexanoyl)oxazolidin-2-one
Appearance Viscous colourless oil
Carrier Gas Helium
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Exact Mass 289.167793602 u
Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-3-4-8-13(2)16(19)18-15(12-21-17(18)20)11-14-9-6-5-7-10-14/h5-7,9-10,13,15H,3-4,8,11-12H2,1-2H3/t13-,15-/m0/s1
InChIKey JLOKDWJKCCPINR-ZFWWWQNUSA-N
Inlet Type Split injector
Instrument Name HP 7890B-5977A inert mass detector
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800621
Optical Rotation [a]D23.0 = +71.3 (c = 0.58, CHCl3)
Quality 247
Reported Formula C17H23NO3
SMILES C1(=CC=CC=C1)C[C@@]1(N(C(OC1)=O)C([C@](CCCC)(C)[H])=O)[H]
SPLASH splash10-03dr-6910000000-6d34f97ea5fe2b7b8cb6
Source of Spectrum K1-2018-SM6-21 (DOI: 10.1002/ejoc.201800621)
Thin-Layer Chromatography 0.30 (cyclohexane/EtOAc, 5:1)
Wiley ID 1894085