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2-[2-nitro-5-(pentafluoro-$l^{6}-sulfanyl)phenyl]propanoic acid methyl ester
SpectraBase Compound ID 29hvgi6qzhl
InChI InChI=1S/C10H10F5NO4S/c1-6(10(17)20-2)8-5-7(21(11,12,13,14)15)3-4-9(8)16(18)19/h3-6H,1-2H3
InChIKey UIORFDBTRQNGJX-UHFFFAOYSA-N
Mol Weight 335.25 g/mol
Molecular Formula C10H10F5NO4S
Exact Mass 335.02507 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bj57CXHQoxc
Name 2-[2-nitro-5-(pentafluoro-$l^{6}-sulfanyl)phenyl]propanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10F5NO4S
InChI InChI=1S/C10H10F5NO4S/c1-6(10(17)20-2)8-5-7(21(11,12,13,14)15)3-4-9(8)16(18)19/h3-6H,1-2H3
InChIKey UIORFDBTRQNGJX-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo200618p
Molecular Weight 335.245 g/mol
SMILES c1(S(F)(F)(F)(F)F)ccc(c(c1)C(C(=O)OC)C)[N+](=O)[O-]
SPLASH splash10-002r-2190000000-4f4b6f59f6f25e480573
Source of Spectrum J-76-4784-4e
Synonyms Methyl 2-[2-nitro-5-(pentafluoro-$l^{6}-sulfanyl)phenyl]propanoate Methyl 2-[2-nitro-5-[pentakis(fluoranyl)-$l^{6}-sulfanyl]phenyl]propanoate
Wiley ID 1744819