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2-[2-nitro-5-(pentafluoro-$l^{6}-sulfanyl)phenyl]acetic acid tert-butyl ester
SpectraBase Compound ID 1ePbkQQasfj
InChI InChI=1S/C12H14F5NO4S/c1-12(2,3)22-11(19)7-8-6-9(23(13,14,15,16)17)4-5-10(8)18(20)21/h4-6H,7H2,1-3H3
InChIKey UNKGTVBWNZETOO-UHFFFAOYSA-N
Mol Weight 363.3 g/mol
Molecular Formula C12H14F5NO4S
Exact Mass 363.05637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JAKLLNi2uev
Name 2-[2-nitro-5-(pentafluoro-$l^{6}-sulfanyl)phenyl]acetic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14F5NO4S
InChI InChI=1S/C12H14F5NO4S/c1-12(2,3)22-11(19)7-8-6-9(23(13,14,15,16)17)4-5-10(8)18(20)21/h4-6H,7H2,1-3H3
InChIKey UNKGTVBWNZETOO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo200618p
Molecular Weight 363.299 g/mol
SMILES c1(S(F)(F)(F)(F)F)ccc(c(CC(=O)OC(C)(C)C)c1)[N+](=O)[O-]
SPLASH splash10-0a4l-9020000000-712e64e52a1836390c1d
Source of Spectrum J-76-4784-4c
Synonyms tert-Butyl 2-[2-nitro-5-(pentafluoro-$l^{6}-sulfanyl)phenyl]acetate tert-Butyl 2-[2-nitro-5-[pentakis(fluoranyl)-$l^{6}-sulfanyl]phenyl]ethanoate
Wiley ID 1744817