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N-(1-(3-chlorophenyl)-1-cyano-3,3,3-trifluoropropyl)-1,1,1-trifluoromethane-sulfonamide
SpectraBase Compound ID 9m4M0ONxSwT
InChI InChI=1S/C11H7ClF6N2O2S/c12-8-3-1-2-7(4-8)9(6-19,5-10(13,14)15)20-23(21,22)11(16,17)18/h1-4,20H,5H2
InChIKey OENUAVRMROPPOA-UHFFFAOYSA-N
Mol Weight 380.69 g/mol
Molecular Formula C11H7ClF6N2O2S
Exact Mass 379.982095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VF1GbiLerv
Name N-(1-(3-chlorophenyl)-1-cyano-3,3,3-trifluoropropyl)-1,1,1-trifluoromethane-sulfonamide
Appearance Yellow liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.982095323 u
Formula C11H7ClF6N2O2S
InChI InChI=1S/C11H7ClF6N2O2S/c12-8-3-1-2-7(4-8)9(6-19,5-10(13,14)15)20-23(21,22)11(16,17)18/h1-4,20H,5H2
InChIKey OENUAVRMROPPOA-UHFFFAOYSA-N
Instrument Name FINNIGAN SSQ or 7000 Thermo Deca XP
Ionization Type EI
Literature Reference DOI 10.1002/chem.202201830
Molecular Weight 380.692 g/mol
Quality 541
Reported Formula C11H7O2N2ClF6S
SMILES N(C(C=1C=CC=C(C1)Cl)(CC(F)(F)F)C#N)S(C(F)(F)F)(=O)=O
SPLASH splash10-00lb-2973000000-a0636f2891683f1b80bb
Source of Spectrum QE-28-SM18-7h (DOI: 10.1002/chem.202201830)
Wiley ID 1900630