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N-(5'-Iodo-3'-oxaoctafluoropentyl)sulfonyl-2-benzylaniline
SpectraBase Compound ID KWFSCx0NY5O
InChI InChI=1S/C17H12F8INO3S/c18-14(19,26)15(20,21)30-16(22,23)17(24,25)31(28,29)27-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,27H,10H2
InChIKey OALQECWZLWNUAG-UHFFFAOYSA-N
Mol Weight 589.24 g/mol
Molecular Formula C17H12F8INO3S
Exact Mass 588.945485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENIAo9yiR0j
Name N-(5'-Iodo-3'-oxaoctafluoropentyl)sulfonyl-2-benzylaniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12F8INO3S
InChI InChI=1S/C17H12F8INO3S/c18-14(19,26)15(20,21)30-16(22,23)17(24,25)31(28,29)27-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,27H,10H2
InChIKey OALQECWZLWNUAG-UHFFFAOYSA-N
Molecular Weight 589.239 g/mol
SMILES N(S(C(C(OC(C(F)(F)I)(F)F)(F)F)(F)F)(=O)=O)c1c(Cc2ccccc2)cccc1
SPLASH splash10-001i-0900000000-9d91ea4511eeafe8fe82
Source of Spectrum KC-61-5683-4
Wiley ID 1629608