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tert-Butyl (4S,4'R)-2,2-dimethyl-4-(4'-ethoxycarbonyl-2'-chloro-3',3'-difluoropent-1'-enyl)oxazolidine-3-carboxylate
SpectraBase Compound ID vRQk6xT2yK
InChI InChI=1S/C18H28ClF2NO5/c1-8-25-14(23)11(2)18(20,21)13(19)9-12-10-26-17(6,7)22(12)15(24)27-16(3,4)5/h9,11-12H,8,10H2,1-7H3/b13-9-/t11-,12+/m1/s1
InChIKey HBUXSBIHWBTERL-YFNPVVSBSA-N
Mol Weight 411.87 g/mol
Molecular Formula C18H28ClF2NO5
Exact Mass 411.162407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LjsPwNsZC9A
Name tert-Butyl (4S,4'R)-2,2-dimethyl-4-(4'-ethoxycarbonyl-2'-chloro-3',3'-difluoropent-1'-enyl)oxazolidine-3-carboxylate
Alternate Name(s) tert-Butyl (4S)-4-[(1Z,4R)-2-chloro-5-ethoxy-3,3-difluoro-4-methyl-5-oxo-1-pentenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
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Formula C18H28ClF2NO5
InChI InChI=1S/C18H28ClF2NO5/c1-8-25-14(23)11(2)18(20,21)13(19)9-12-10-26-17(6,7)22(12)15(24)27-16(3,4)5/h9,11-12H,8,10H2,1-7H3/b13-9-/t11-,12+/m1/s1
InChIKey HBUXSBIHWBTERL-YFNPVVSBSA-N
Molecular Weight 411.874 g/mol
SMILES C(N1[C@@](\C=C\(C([C@@](C(=O)OCC)(C)[H])(F)F)Cl)(COC1(C)C)[H])(OC(C)(C)C)=O
SPLASH splash10-052b-6090000000-a9ca3d9232300b640d53
Source of Spectrum KC-0-3347-6
Wiley ID 829597