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(3S,4S,5S)-ethyl 3-ethyl-5-fluoro-5-(perfluoropentyl)-2-propylisoxazolidine-4-carboxylate
SpectraBase Compound ID DrXtWUMeJY8
InChI InChI=1S/C16H19F12NO3/c1-4-7-29-8(5-2)9(10(30)31-6-3)11(17,32-29)12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)28/h8-9H,4-7H2,1-3H3/t8-,9-,11+/m0/s1
InChIKey GAINDNGZRFTXSJ-ATZCPNFKSA-N
Mol Weight 501.31 g/mol
Molecular Formula C16H19F12NO3
Exact Mass 501.117331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AvDf74eaVUy
Name (3S,4S,5S)-ethyl 3-ethyl-5-fluoro-5-(perfluoropentyl)-2-propylisoxazolidine-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19F12NO3
InChI InChI=1S/C16H19F12NO3/c1-4-7-29-8(5-2)9(10(30)31-6-3)11(17,32-29)12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)28/h8-9H,4-7H2,1-3H3/t8-,9-,11+/m0/s1
InChIKey GAINDNGZRFTXSJ-ATZCPNFKSA-N
Literature Reference DOI 10.1002/cjoc.20040220914
Molecular Weight 501.313 g/mol
SMILES C(F)(C(F)(F)C(C(F)(F)C(F)(F)[C@@]1(ON(CCC)[C@]([C@]1(C(OCC)=O)[H])(CC)[H])F)(F)F)(F)F
SPLASH splash10-00dl-5000910000-39462715b9ae607f0880
Source of Spectrum CJC-22-948-6d
Wiley ID 1774020