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N-ethyl-2,2,3,3,4,4,4-heptafluoro-N-(4-methoxy-3-methylphenethyl)butanamide
SpectraBase Compound ID 2yPDB871PbV
InChI InChI=1S/C16H18F7NO2/c1-4-24(8-7-11-5-6-12(26-3)10(2)9-11)13(25)14(17,18)15(19,20)16(21,22)23/h5-6,9H,4,7-8H2,1-3H3
InChIKey PKAGYOBGKFJFKT-UHFFFAOYSA-N
Mol Weight 389.31 g/mol
Molecular Formula C16H18F7NO2
Exact Mass 389.122576 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6MRQyCNAVCp
Name N-ethyl-2,2,3,3,4,4,4-heptafluoro-N-(4-methoxy-3-methylphenethyl)butanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18F7NO2
InChI InChI=1S/C16H18F7NO2/c1-4-24(8-7-11-5-6-12(26-3)10(2)9-11)13(25)14(17,18)15(19,20)16(21,22)23/h5-6,9H,4,7-8H2,1-3H3
InChIKey PKAGYOBGKFJFKT-UHFFFAOYSA-N
Molecular Weight 389.314 g/mol
SMILES c1(cc(ccc1OC)CCN(C(C(F)(F)C(F)(F)C(F)(F)F)=O)CC)C
SPLASH splash10-000k-1900000000-c9ccc2b9a4137781de02
Source of Spectrum Professor Randall Clark, Department: Drug Discovery and Development, Auburn University, Harrison School of Pharmacy, 3306 Walker Building, Auburn, AL 36849
Wiley ID 1815519