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(S)-4-Benzyl-3-((S)-2-methylpent-4-enoyl)oxazolidin-2-one
SpectraBase Compound ID FqNFWJTHItp
InChI InChI=1S/C16H19NO3/c1-3-7-12(2)15(18)17-14(11-20-16(17)19)10-13-8-5-4-6-9-13/h3-6,8-9,12,14H,1,7,10-11H2,2H3/t12-,14-/m0/s1
InChIKey QWFHQCNYEQKNGE-JSGCOSHPSA-N
Mol Weight 273.33 g/mol
Molecular Formula C16H19NO3
Exact Mass 273.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgfxwB4QsPd
Name (S)-4-Benzyl-3-((S)-2-methylpent-4-enoyl)oxazolidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO3
InChI InChI=1S/C16H19NO3/c1-3-7-12(2)15(18)17-14(11-20-16(17)19)10-13-8-5-4-6-9-13/h3-6,8-9,12,14H,1,7,10-11H2,2H3/t12-,14-/m0/s1
InChIKey QWFHQCNYEQKNGE-JSGCOSHPSA-N
Instrument Name HP 6890 GC-5973 MSD/Agilent Technologies GC 7890A-5975C MSD
Ionization Type EI
Literature Reference DOI 10.1021/np400131q
Molecular Weight 273.332 g/mol
Optical Rotation [a]D21.4 = +83.65 (c = 3.56, CHCl3)
SMILES c1(ccccc1)C[C@@]1(N(C(OC1)=O)C([C@](CC=C)(C)[H])=O)[H]
SPLASH splash10-00kf-9100000000-c70c701cab4a1450b0f1
Source of Spectrum G4-76-SM12-21
Thin-Layer Chromatography Rf = 0.35 (pentane/Et2O, 5:1)
Wiley ID 1865727