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2-[2-nitro-4-(pentafluoro-$l^{6}-sulfanyl)phenyl]acetic acid tert-butyl ester
SpectraBase Compound ID FpdUeWT9G4L
InChI InChI=1S/C12H14F5NO4S/c1-12(2,3)22-11(19)6-8-4-5-9(7-10(8)18(20)21)23(13,14,15,16)17/h4-5,7H,6H2,1-3H3
InChIKey PONDFPZDBLCGBQ-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 3iKly1V9QjU
Name 2-[2-nitro-4-(pentafluoro-$l^{6}-sulfanyl)phenyl]acetic acid tert-butyl ester
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Formula C12H14F5NO4S
InChI InChI=1S/C12H14F5NO4S/c1-12(2,3)22-11(19)6-8-4-5-9(7-10(8)18(20)21)23(13,14,15,16)17/h4-5,7H,6H2,1-3H3
InChIKey PONDFPZDBLCGBQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo200618p
Molecular Weight 363.299 g/mol
SMILES c1(S(F)(F)(F)(F)F)cc(c(CC(=O)OC(C)(C)C)cc1)[N+](=O)[O-]
SPLASH splash10-0bt9-9050000000-47e24d2e71681ee3d69b
Source of Spectrum J-76-4784-5c
Synonyms tert-Butyl 2-[2-nitro-4-(pentafluoro-$l^{6}-sulfanyl)phenyl]acetate tert-Butyl 2-[2-nitro-4-[pentakis(fluoranyl)-$l^{6}-sulfanyl]phenyl]ethanoate
Wiley ID 1744824