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(4R,2'R,6'E)-4-Benzyl-3-(2'-methyloctenoyl)oxazolidin-2-one
SpectraBase Compound ID Iq1AvB2AdSk
InChI InChI=1S/C19H25NO3/c1-3-4-5-7-10-15(2)18(21)20-17(14-23-19(20)22)13-16-11-8-6-9-12-16/h3-4,6,8-9,11-12,15,17H,5,7,10,13-14H2,1-2H3/b4-3+/t15-,17-/m1/s1
InChIKey LQYGQUMCKVNKFW-GILVVUIESA-N
Mol Weight 315.41 g/mol
Molecular Formula C19H25NO3
Exact Mass 315.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLvpWpTyBcp
Name (4R,2'R,6'E)-4-Benzyl-3-(2'-methyloctenoyl)oxazolidin-2-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO3
InChI InChI=1S/C19H25NO3/c1-3-4-5-7-10-15(2)18(21)20-17(14-23-19(20)22)13-16-11-8-6-9-12-16/h3-4,6,8-9,11-12,15,17H,5,7,10,13-14H2,1-2H3/b4-3+/t15-,17-/m1/s1
InChIKey LQYGQUMCKVNKFW-GILVVUIESA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo3026737
Optical Rotation [a]D28 = -79 (c = 1.0, CH2Cl2)
Quality 154
Reported Formula C19H25NO3
SMILES C1OC(N([C@@]1(CC1=CC=CC=C1)[H])C(=O)[C@@](CCC\C=C\C)(C)[H])=O
SPLASH splash10-00o9-3930000000-c677dc4a3a96e818d951
Sample Comments 95% de
Source of Spectrum JOC-78-2459-15a (DOI: 10.1021/jo3026737)
Thin-Layer Chromatography 0.55 (cyclohexane/ethyl acetate, 3:1)
Wiley ID 1912370