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(4S)-3-(2-Iodo-3-perfluorohexylpropanoyl)-4-benzyl-2-oxazolidinone

View entire compound with spectra: 2 MS (GC)

(4S)-3-(2-Iodo-3-perfluorohexylpropanoyl)-4-benzyl-2-oxazolidinone
SpectraBase Compound ID 8nva8B1Jka1
InChI InChI=1S/C19H13F13INO3/c20-14(21,15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32)7-11(33)12(35)34-10(8-37-13(34)36)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11?/m0/s1
InChIKey XKJDGLFMHIZPER-VUWPPUDQSA-N
Mol Weight 677.2 g/mol
Molecular Formula C19H13F13INO3
Exact Mass 676.973254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VNECvcufkh
Name (4S)-3-(2-Iodo-3-perfluorohexylpropanoyl)-4-benzyl-2-oxazolidinone
Alternate Name(s) (4S)-4-benzyl-3-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodononanoyl)oxazolidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13F13INO3
InChI InChI=1S/C19H13F13INO3/c20-14(21,15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32)7-11(33)12(35)34-10(8-37-13(34)36)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11?/m0/s1
InChIKey XKJDGLFMHIZPER-VUWPPUDQSA-N
Literature Reference DOI 10.1021/ol0707620
Molecular Weight 677.201 g/mol
SMILES C(F)(C(C(C(C(CC(C(N1[C@](COC1=O)(Cc1ccccc1)[H])=O)I)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
SPLASH splash10-0uk9-0700591000-c568566b206ceef92c40
Source of Spectrum A1-9-2513/SMS4-11_Lesspolardiastereomer
Wiley ID 1758174