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(4S)-4-benzyl-3-[(2S)-2-methylheptanoyl]-1,3-oxazolidin-2-one
SpectraBase Compound ID 7iyD0Ozm8M6
InChI InChI=1S/C18H25NO3/c1-3-4-6-9-14(2)17(20)19-16(13-22-18(19)21)12-15-10-7-5-8-11-15/h5,7-8,10-11,14,16H,3-4,6,9,12-13H2,1-2H3/t14-,16-/m0/s1
InChIKey WMQZMAOUUVPQLT-HOCLYGCPSA-N
Mol Weight 303.4 g/mol
Molecular Formula C18H25NO3
Exact Mass 303.183444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 85IR9M0DGon
Name (4S)-4-Benzyl-3-[(2S)-2-methylheptanoyl]-1,3-oxazolidin-2-one
Comments Computed using HOSE algorithm
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Exact Mass 303.183443666 u
Formula C18H25NO3
InChI InChI=1S/C18H25NO3/c1-3-4-6-9-14(2)17(20)19-16(13-22-18(19)21)12-15-10-7-5-8-11-15/h5,7-8,10-11,14,16H,3-4,6,9,12-13H2,1-2H3/t14-,16-/m0/s1
InChIKey WMQZMAOUUVPQLT-HOCLYGCPSA-N
Molecular Weight 303.402 g/mol
SMILES C1(N([C@](CO1)(CC=1C=CC=CC1)[H])C(=O)[C@](CCCCC)(C)[H])=O