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(3R,7aR)-3-(Trichloromethyl)-7a-vinyltetrahydropyrrolo[l,2-c]oxazol-1-(3H)-one
SpectraBase Compound ID 2oq3kmfoZ3j
InChI InChI=1S/C9H10Cl3NO2/c1-2-8-4-3-5-13(8)6(9(10,11)12)15-7(8)14/h2,6H,1,3-5H2/t6-,8+/m1/s1
InChIKey XVTSDRGGPSDRJX-SVRRBLITSA-N
Mol Weight 270.54 g/mol
Molecular Formula C9H10Cl3NO2
Exact Mass 268.977712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EhMaVOaULg
Name (3R,7aR)-3-(Trichloromethyl)-7a-vinyltetrahydropyrrolo[l,2-c]oxazol-1-(3H)-one
Appearance Colorless oil
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Formula C9H10Cl3NO2
InChI InChI=1S/C9H10Cl3NO2/c1-2-8-4-3-5-13(8)6(9(10,11)12)15-7(8)14/h2,6H,1,3-5H2/t6-,8+/m1/s1
InChIKey XVTSDRGGPSDRJX-SVRRBLITSA-N
Instrument Name Agilent HP6890-MSD5973
Ionization Type EI
Molecular Weight 270.543 g/mol
Optical Rotation [a]22D = 49.90 (c = 0.660, CHC13)
SMILES [C@]1(OC([C@]2(N1CCC2)C=C)=O)(C(Cl)(Cl)Cl)[H]
SPLASH splash10-0006-9100000000-265faf254a118935cf5a
Source of Spectrum WO2013030111A1
Thin-Layer Chromatography Rf = 0.17 (EtOAc/CyHex, 1:10)
Wiley ID 1847854