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(S)-4-Benzyl-3-hexanoyloxazolidin-2-one
SpectraBase Compound ID C3KWC6AejMj
InChI InChI=1S/C16H21NO3/c1-2-3-5-10-15(18)17-14(12-20-16(17)19)11-13-8-6-4-7-9-13/h4,6-9,14H,2-3,5,10-12H2,1H3/t14-/m0/s1
InChIKey MRMYNRJBNYQKLZ-AWEZNQCLSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kkfs4u5YWlB
Name (S)-4-Benzyl-3-hexanoyloxazolidin-2-one
Appearance Viscous colourless oil
Carrier Gas Helium
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Exact Mass 275.152143537 u
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-2-3-5-10-15(18)17-14(12-20-16(17)19)11-13-8-6-4-7-9-13/h4,6-9,14H,2-3,5,10-12H2,1H3/t14-/m0/s1
InChIKey MRMYNRJBNYQKLZ-AWEZNQCLSA-N
Inlet Type Split injector
Instrument Name HP 7890B-5977A inert mass detector
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800621
Molecular Weight 275.348 g/mol
Optical Rotation [a]D24.0 = +101.2 (c = 0.41, MeOH)
Quality 191
Reported Formula C16H21NO3
SMILES C1(=CC=CC=C1)C[C@@]1(N(C(OC1)=O)C(CCCCC)=O)[H]
SPLASH splash10-0002-9210000000-cb2be64c65aebc09035c
Source of Spectrum K1-2018-SM5-20 (DOI: 10.1002/ejoc.201800621)
Thin-Layer Chromatography 0.28 (cyclohexane/EtOAc, 7:1)
Wiley ID 1894084